Showing NP-Card for Tylopeptin A (NP0003140)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 00:31:10 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:45:37 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0003140 | ||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Tylopeptin A | ||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||
| Description | (2S)-2-[(2-{[(2S)-2-{[(2S)-2-[(2-{[(2S)-1,3-dihydroxy-2-[(1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2R)-1-hydroxy-2-[(1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-(1H-indol-3-yl)propylidene]amino}-3-methylbutylidene]amino}-2-methylpropylidene)amino]-2-methylbutylidene]amino}propylidene]amino}-4-(C-hydroxycarbonimidoyl)butylidene]amino}propylidene]amino}-2-methylpropylidene)amino]propylidene]amino}-1-hydroxy-2-methylpropylidene)amino]-1-hydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-2-methylpropylidene)amino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediimidic acid belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. Tylopeptin A is found in Tylopilus neofelleus. It was first documented in 1999 (PMID: 10656572). Based on a literature review very few articles have been published on (2S)-2-[(2-{[(2S)-2-{[(2S)-2-[(2-{[(2S)-1,3-dihydroxy-2-[(1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2R)-1-hydroxy-2-[(1-hydroxy-2-{[(2S)-1-hydroxy-2-{[(2S)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-(1H-indol-3-yl)propylidene]amino}-3-methylbutylidene]amino}-2-methylpropylidene)amino]-2-methylbutylidene]amino}propylidene]amino}-4-(C-hydroxycarbonimidoyl)butylidene]amino}propylidene]amino}-2-methylpropylidene)amino]propylidene]amino}-1-hydroxy-2-methylpropylidene)amino]-1-hydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-1-hydroxy-2-methylpropylidene)amino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediimidic acid. | ||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0003140 (Tylopeptin A)
Mrv1652307012117063D
230231 0 0 0 0 999 V2000
10.0159 4.4441 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2666 5.2141 -0.8602 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0144 4.2253 -1.8582 C 0 0 1 0 0 0 0 0 0 0 0 0
11.1331 5.0275 -3.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2719 3.9149 -1.3710 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0529 4.3394 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5533 5.1296 0.5714 O 0 0 0 0 0 0 0 0 0 0 0 0
14.4173 3.8897 0.0041 C 0 0 2 0 0 0 0 0 0 0 0 0
15.2632 5.1912 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0031 3.1427 -1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5981 3.2242 1.3168 N 0 0 0 0 0 0 0 0 0 0 0 0
14.2309 1.8563 1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8094 1.4051 0.2693 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2554 0.8898 2.5042 C 0 0 1 0 0 0 0 0 0 0 0 0
14.9731 -0.3313 2.1063 N 0 0 0 0 0 0 0 0 0 0 0 0
14.8068 -1.0855 0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9023 -0.7555 0.1051 O 0 0 0 0 0 0 0 0 0 0 0 0
15.5427 -2.2679 0.5499 C 0 0 2 0 0 0 0 0 0 0 0 0
16.5397 -2.8031 1.5074 C 0 0 2 0 0 0 0 0 0 0 0 0
17.2936 -3.9530 0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0
18.6377 -3.9282 0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0
18.9564 -5.1556 0.0593 N 0 0 0 0 0 0 0 0 0 0 0 0
17.8931 -5.9449 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7122 -7.2498 -0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5069 -7.9032 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4440 -7.1794 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6525 -5.8751 0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8623 -5.2103 0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9285 -2.1132 -0.8141 N 0 0 0 0 0 0 0 0 0 0 0 0
15.3605 -2.7695 -1.9148 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9363 -2.4158 -3.3114 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4588 -3.5995 -1.9518 O 0 0 0 0 0 0 0 0 0 0 0 0
14.6728 1.3494 3.8329 C 0 0 1 0 0 0 0 0 0 0 0 0
13.8005 2.5104 4.3355 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3859 0.2335 4.8587 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9821 3.1981 -2.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7659 2.4055 -1.0249 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2098 3.0579 -3.1649 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1014 2.1312 -3.2693 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5707 1.8599 -4.5999 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2885 0.9364 -2.3693 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3917 0.3758 -2.3622 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1946 0.5794 -1.6101 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9346 -0.4163 -0.6112 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1295 0.0326 0.5659 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8239 1.2285 1.1547 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2007 1.8059 2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6168 3.0680 2.8314 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2954 1.1591 2.9610 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2423 -1.5454 -1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9275 -1.8852 -2.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0762 -2.0993 -1.0573 N 0 0 1 0 0 0 0 0 0 0 0 0
3.8697 -2.8028 -0.8538 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8986 -3.6725 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7828 -1.7365 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9108 -1.0013 0.3860 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7633 -1.7076 -1.5021 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5791 -0.9683 -1.7046 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0734 -0.9839 -3.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8526 0.5245 -1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4179 -1.4012 -0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1326 -1.2354 0.5304 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6430 -1.9957 -1.0380 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7547 -2.4784 -0.3279 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4353 -3.5783 0.7059 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6540 -3.1261 1.7080 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3764 -1.3443 0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6726 -0.6565 1.1795 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7630 -1.1524 0.2902 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5866 -0.1706 0.9212 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9281 1.1539 1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3593 -0.6270 2.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6616 0.1282 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6505 -0.6489 -1.1312 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4395 1.2272 0.0665 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.4415 1.7841 -0.7954 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7504 2.2060 -2.1093 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4898 0.8258 -1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2352 -0.2740 -1.6353 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.8249 1.2753 -1.0465 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.0417 0.5953 -1.3564 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.2754 -0.7842 -0.9135 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.3293 -1.1575 0.4972 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.0948 -0.9056 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.5326 -2.6913 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1953 1.5618 -1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.7932 2.0571 -2.1309 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.5528 1.8962 0.1612 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.5901 2.7397 0.6462 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.1753 3.1710 2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.8181 3.9754 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8272 1.9643 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.7266 0.7892 1.3829 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.1013 2.4055 0.4435 N 0 0 0 0 0 0 0 0 0 0 0 0
-18.2402 1.5361 0.7525 C 0 0 1 0 0 0 0 0 0 0 0 0
-19.4970 2.3037 0.7475 C 0 0 2 0 0 0 0 0 0 0 0 0
-19.3989 3.4208 1.7904 C 0 0 2 0 0 0 0 0 0 0 0 0
-20.6554 4.1775 1.8584 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.7414 5.3938 2.5709 N 0 0 0 0 0 0 0 0 0 0 0 0
-21.6759 3.7213 1.2713 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.2605 0.3546 -0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.9926 0.5042 -1.3978 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.5763 -0.8953 0.3423 N 0 0 0 0 0 0 0 0 0 0 0 0
-18.6052 -2.1251 -0.4796 C 0 0 2 0 0 0 0 0 0 0 0 0
-19.9509 -2.7230 -0.3308 C 0 0 2 0 0 0 0 0 0 0 0 0
-20.2312 -3.0367 1.0139 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.4540 -2.9706 -0.0763 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.2221 -4.2703 -0.7140 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.2521 -5.3287 -0.5574 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8830 -4.7935 -0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0864 5.1208 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6556 3.5750 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9554 4.0044 0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2820 5.3961 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8852 6.0947 -0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8578 5.8448 -2.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4237 4.4507 -4.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1631 5.5092 -3.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8174 3.1662 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5910 6.0492 0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7595 5.3904 -0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9663 5.0913 0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4695 2.2658 -1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1034 2.9751 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9271 3.8734 -2.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9788 3.7449 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1737 0.4829 2.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7015 -0.6411 2.8185 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6691 -3.1059 0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9323 -3.2691 2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1761 -2.0577 1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3154 -3.1005 0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0
19.9481 -5.3858 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5843 -7.7865 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3811 -8.9226 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5187 -7.7292 0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8170 -5.3566 1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7365 -1.4429 -0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8063 -1.7580 -3.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2468 -3.3033 -3.8397 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1313 -1.8253 -3.7648 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7149 1.6258 3.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0008 2.1311 5.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2772 2.9882 3.4908 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3954 3.2007 4.9559 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2741 -0.3480 5.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5965 -0.4681 4.4467 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9107 0.6878 5.7861 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4729 3.6581 -3.9982 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2654 2.7291 -2.6831 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1957 2.3834 -5.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4483 0.8107 -4.8609 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5610 2.3823 -4.7619 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2959 1.2011 -1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9100 -0.8124 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0776 0.1710 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2684 -0.7763 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9098 1.1352 1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6661 2.0774 0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1436 3.5808 3.6099 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4547 3.5170 2.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4666 -3.2042 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5356 -3.4206 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8133 -2.9466 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0330 -4.3340 0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8931 -4.1327 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8448 -2.4769 -2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6903 -1.7120 -3.7014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9740 -1.1503 -3.2029 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3270 0.0363 -3.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1705 1.0276 -2.3159 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6160 0.5879 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0713 0.9562 -1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7090 -2.1836 -2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4979 -2.9514 -0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9135 -4.3770 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4288 -4.0273 0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7371 -3.4459 1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3244 -1.8057 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9394 1.1546 1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0142 1.8356 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5672 1.6895 1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6723 0.2487 2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3460 -1.0830 1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8857 -1.4077 2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3198 1.7473 0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8463 2.7110 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6611 1.8920 -2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1740 1.5683 -2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9221 3.2446 -2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8896 2.2871 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9760 0.4764 -2.5204 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5529 -1.5057 -1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2623 -1.1643 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2615 -0.7641 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1981 -1.2591 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0743 -1.4985 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9921 0.1636 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4592 -3.1186 -0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5462 -2.8951 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7236 -3.1255 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9280 1.4439 0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4186 2.4333 2.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6608 4.1426 1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.0497 3.2721 2.7552 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8880 4.6146 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1194 3.7407 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5998 4.6166 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.3145 3.2786 -0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.0411 1.1036 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.3728 1.6993 1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.6896 2.7951 -0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.5494 4.0500 1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.1613 2.9597 2.7572 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.8913 5.9419 2.8408 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.6839 5.8034 2.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8067 -1.0110 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.4264 -1.7669 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.1527 -3.6133 -0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.7144 -1.9348 -0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.4239 -2.9069 1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.5086 -2.3595 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.4733 -3.1495 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.0941 -4.1459 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.6958 -6.3054 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8504 -5.2023 0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8591 -5.4760 -1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1025 -4.4973 -0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9085 -5.8819 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.6913 -4.2936 0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
8 6 1 6 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
18 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
30 32 2 0 0 0 0
14 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
3 36 1 6 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
47 49 2 0 0 0 0
44 50 1 0 0 0 0
50 51 2 0 0 0 0
50 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
53 55 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
58 61 1 1 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
64 67 1 0 0 0 0
67 68 2 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
70 73 1 6 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 2 0 0 0 0
78 80 1 0 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
83 85 1 0 0 0 0
81 86 1 0 0 0 0
86 87 2 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
89 91 1 0 0 0 0
89 92 1 1 0 0 0
92 93 2 0 0 0 0
92 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 1 0 0 0 0
98 99 1 0 0 0 0
98100 2 0 0 0 0
95101 1 0 0 0 0
101102 2 0 0 0 0
101103 1 0 0 0 0
103104 1 0 0 0 0
104105 1 0 0 0 0
105106 1 0 0 0 0
104107 1 0 0 0 0
107108 1 0 0 0 0
108109 1 0 0 0 0
108110 1 0 0 0 0
28 20 1 0 0 0 0
28 23 1 0 0 0 0
1111 1 0 0 0 0
1112 1 0 0 0 0
1113 1 0 0 0 0
2114 1 0 0 0 0
2115 1 0 0 0 0
4116 1 0 0 0 0
4117 1 0 0 0 0
4118 1 0 0 0 0
5119 1 0 0 0 0
9120 1 0 0 0 0
9121 1 0 0 0 0
9122 1 0 0 0 0
10123 1 0 0 0 0
10124 1 0 0 0 0
10125 1 0 0 0 0
11126 1 0 0 0 0
14127 1 1 0 0 0
15128 1 0 0 0 0
18129 1 6 0 0 0
19130 1 0 0 0 0
19131 1 0 0 0 0
21132 1 0 0 0 0
22133 1 0 0 0 0
24134 1 0 0 0 0
25135 1 0 0 0 0
26136 1 0 0 0 0
27137 1 0 0 0 0
29138 1 0 0 0 0
31139 1 0 0 0 0
31140 1 0 0 0 0
31141 1 0 0 0 0
33142 1 6 0 0 0
34143 1 0 0 0 0
34144 1 0 0 0 0
34145 1 0 0 0 0
35146 1 0 0 0 0
35147 1 0 0 0 0
35148 1 0 0 0 0
38149 1 0 0 0 0
39150 1 1 0 0 0
40151 1 0 0 0 0
40152 1 0 0 0 0
40153 1 0 0 0 0
43154 1 0 0 0 0
44155 1 1 0 0 0
45156 1 0 0 0 0
45157 1 0 0 0 0
46158 1 0 0 0 0
46159 1 0 0 0 0
48160 1 0 0 0 0
48161 1 0 0 0 0
52162 1 0 0 0 0
53163 1 6 0 0 0
54164 1 0 0 0 0
54165 1 0 0 0 0
54166 1 0 0 0 0
57167 1 0 0 0 0
59168 1 0 0 0 0
59169 1 0 0 0 0
59170 1 0 0 0 0
60171 1 0 0 0 0
60172 1 0 0 0 0
60173 1 0 0 0 0
63174 1 0 0 0 0
64175 1 6 0 0 0
65176 1 0 0 0 0
65177 1 0 0 0 0
66178 1 0 0 0 0
69179 1 0 0 0 0
71180 1 0 0 0 0
71181 1 0 0 0 0
71182 1 0 0 0 0
72183 1 0 0 0 0
72184 1 0 0 0 0
72185 1 0 0 0 0
75186 1 0 0 0 0
76187 1 1 0 0 0
77188 1 0 0 0 0
77189 1 0 0 0 0
77190 1 0 0 0 0
80191 1 0 0 0 0
81192 1 6 0 0 0
82193 1 0 0 0 0
82194 1 0 0 0 0
83195 1 1 0 0 0
84196 1 0 0 0 0
84197 1 0 0 0 0
84198 1 0 0 0 0
85199 1 0 0 0 0
85200 1 0 0 0 0
85201 1 0 0 0 0
88202 1 0 0 0 0
90203 1 0 0 0 0
90204 1 0 0 0 0
90205 1 0 0 0 0
91206 1 0 0 0 0
91207 1 0 0 0 0
91208 1 0 0 0 0
94209 1 0 0 0 0
95210 1 1 0 0 0
96211 1 0 0 0 0
96212 1 0 0 0 0
97213 1 0 0 0 0
97214 1 0 0 0 0
99215 1 0 0 0 0
99216 1 0 0 0 0
103217 1 0 0 0 0
104218 1 6 0 0 0
105219 1 0 0 0 0
105220 1 0 0 0 0
106221 1 0 0 0 0
107222 1 0 0 0 0
107223 1 0 0 0 0
108224 1 6 0 0 0
109225 1 0 0 0 0
109226 1 0 0 0 0
109227 1 0 0 0 0
110228 1 0 0 0 0
110229 1 0 0 0 0
110230 1 0 0 0 0
M END
3D MOL for NP0003140 (Tylopeptin A)
RDKit 3D
230231 0 0 0 0 0 0 0 0999 V2000
10.0159 4.4441 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2666 5.2141 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0144 4.2253 -1.8582 C 0 0 1 0 0 0 0 0 0 0 0 0
11.1331 5.0275 -3.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2719 3.9149 -1.3710 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0529 4.3394 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5533 5.1296 0.5714 O 0 0 0 0 0 0 0 0 0 0 0 0
14.4173 3.8897 0.0041 C 0 0 2 0 0 0 0 0 0 0 0 0
15.2632 5.1912 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0031 3.1427 -1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5981 3.2242 1.3168 N 0 0 0 0 0 0 0 0 0 0 0 0
14.2309 1.8563 1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8094 1.4051 0.2693 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2554 0.8898 2.5042 C 0 0 1 0 0 0 0 0 0 0 0 0
14.9731 -0.3313 2.1063 N 0 0 0 0 0 0 0 0 0 0 0 0
14.8068 -1.0855 0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9023 -0.7555 0.1051 O 0 0 0 0 0 0 0 0 0 0 0 0
15.5427 -2.2679 0.5499 C 0 0 2 0 0 0 0 0 0 0 0 0
16.5397 -2.8031 1.5074 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2936 -3.9530 0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0
18.6377 -3.9282 0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0
18.9564 -5.1556 0.0593 N 0 0 0 0 0 0 0 0 0 0 0 0
17.8931 -5.9449 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7122 -7.2498 -0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5069 -7.9032 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4440 -7.1794 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6525 -5.8751 0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8623 -5.2103 0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9285 -2.1132 -0.8141 N 0 0 0 0 0 0 0 0 0 0 0 0
15.3605 -2.7695 -1.9148 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9363 -2.4158 -3.3114 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4588 -3.5995 -1.9518 O 0 0 0 0 0 0 0 0 0 0 0 0
14.6728 1.3494 3.8329 C 0 0 1 0 0 0 0 0 0 0 0 0
13.8005 2.5104 4.3355 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3859 0.2335 4.8587 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9821 3.1981 -2.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7659 2.4055 -1.0249 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2098 3.0579 -3.1649 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1014 2.1312 -3.2693 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5707 1.8599 -4.5999 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2885 0.9364 -2.3693 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3917 0.3758 -2.3622 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1946 0.5794 -1.6101 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9346 -0.4163 -0.6112 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1295 0.0326 0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8239 1.2285 1.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2007 1.8059 2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6168 3.0680 2.8314 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2954 1.1591 2.9610 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2423 -1.5454 -1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9275 -1.8852 -2.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0762 -2.0993 -1.0573 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8697 -2.8028 -0.8538 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8986 -3.6725 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7828 -1.7365 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9108 -1.0013 0.3860 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7633 -1.7076 -1.5021 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5791 -0.9683 -1.7046 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0734 -0.9839 -3.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8526 0.5245 -1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4179 -1.4012 -0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1326 -1.2354 0.5304 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6430 -1.9957 -1.0380 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7547 -2.4784 -0.3279 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4353 -3.5783 0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6540 -3.1261 1.7080 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3764 -1.3443 0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6726 -0.6565 1.1795 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7630 -1.1524 0.2902 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5866 -0.1706 0.9212 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9281 1.1539 1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3593 -0.6270 2.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6616 0.1282 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6505 -0.6489 -1.1312 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4395 1.2272 0.0665 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.4415 1.7841 -0.7954 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7504 2.2060 -2.1093 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4898 0.8258 -1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2352 -0.2740 -1.6353 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.8249 1.2753 -1.0465 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.0417 0.5953 -1.3564 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.2754 -0.7842 -0.9135 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3293 -1.1575 0.4972 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.0948 -0.9056 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.5326 -2.6913 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1953 1.5618 -1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.7932 2.0571 -2.1309 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.5528 1.8962 0.1612 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.5901 2.7397 0.6462 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.1753 3.1710 2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.8181 3.9754 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8272 1.9643 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.7266 0.7892 1.3829 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.1013 2.4055 0.4435 N 0 0 0 0 0 0 0 0 0 0 0 0
-18.2402 1.5361 0.7525 C 0 0 1 0 0 0 0 0 0 0 0 0
-19.4970 2.3037 0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0
-19.3989 3.4208 1.7904 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.6554 4.1775 1.8584 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.7414 5.3938 2.5709 N 0 0 0 0 0 0 0 0 0 0 0 0
-21.6759 3.7213 1.2713 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.2605 0.3546 -0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.9926 0.5042 -1.3978 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.5763 -0.8953 0.3423 N 0 0 0 0 0 0 0 0 0 0 0 0
-18.6052 -2.1251 -0.4796 C 0 0 2 0 0 0 0 0 0 0 0 0
-19.9509 -2.7230 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.2312 -3.0367 1.0139 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.4540 -2.9706 -0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.2221 -4.2703 -0.7140 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.2521 -5.3287 -0.5574 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8830 -4.7935 -0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0864 5.1208 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6556 3.5750 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9554 4.0044 0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2820 5.3961 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8852 6.0947 -0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8578 5.8448 -2.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4237 4.4507 -4.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1631 5.5092 -3.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8174 3.1662 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5910 6.0492 0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7595 5.3904 -0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9663 5.0913 0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4695 2.2658 -1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1034 2.9751 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9271 3.8734 -2.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9788 3.7449 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1737 0.4829 2.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7015 -0.6411 2.8185 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6691 -3.1059 0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9323 -3.2691 2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1761 -2.0577 1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3154 -3.1005 0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0
19.9481 -5.3858 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5843 -7.7865 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3811 -8.9226 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5187 -7.7292 0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8170 -5.3566 1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7365 -1.4429 -0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8063 -1.7580 -3.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2468 -3.3033 -3.8397 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1313 -1.8253 -3.7648 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7149 1.6258 3.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0008 2.1311 5.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2772 2.9882 3.4908 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3954 3.2007 4.9559 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2741 -0.3480 5.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5965 -0.4681 4.4467 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9107 0.6878 5.7861 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4729 3.6581 -3.9982 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2654 2.7291 -2.6831 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1957 2.3834 -5.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4483 0.8107 -4.8609 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5610 2.3823 -4.7619 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2959 1.2011 -1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9100 -0.8124 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0776 0.1710 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2684 -0.7763 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9098 1.1352 1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6661 2.0774 0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1436 3.5808 3.6099 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4547 3.5170 2.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4666 -3.2042 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5356 -3.4206 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8133 -2.9466 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0330 -4.3340 0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8931 -4.1327 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8448 -2.4769 -2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6903 -1.7120 -3.7014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9740 -1.1503 -3.2029 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3270 0.0363 -3.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1705 1.0276 -2.3159 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6160 0.5879 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0713 0.9562 -1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7090 -2.1836 -2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4979 -2.9514 -0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9135 -4.3770 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4288 -4.0273 0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7371 -3.4459 1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3244 -1.8057 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9394 1.1546 1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0142 1.8356 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5672 1.6895 1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6723 0.2487 2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3460 -1.0830 1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8857 -1.4077 2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3198 1.7473 0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8463 2.7110 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6611 1.8920 -2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1740 1.5683 -2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9221 3.2446 -2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8896 2.2871 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9760 0.4764 -2.5204 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5529 -1.5057 -1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2623 -1.1643 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2615 -0.7641 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1981 -1.2591 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0743 -1.4985 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9921 0.1636 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4592 -3.1186 -0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5462 -2.8951 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7236 -3.1255 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9280 1.4439 0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4186 2.4333 2.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6608 4.1426 1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.0497 3.2721 2.7552 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8880 4.6146 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1194 3.7407 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5998 4.6166 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.3145 3.2786 -0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.0411 1.1036 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.3728 1.6993 1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.6896 2.7951 -0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.5494 4.0500 1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.1613 2.9597 2.7572 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.8913 5.9419 2.8408 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.6839 5.8034 2.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8067 -1.0110 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.4264 -1.7669 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.1527 -3.6133 -0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.7144 -1.9348 -0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.4239 -2.9069 1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.5086 -2.3595 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.4733 -3.1495 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.0941 -4.1459 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.6958 -6.3054 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8504 -5.2023 0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8591 -5.4760 -1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1025 -4.4973 -0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9085 -5.8819 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.6913 -4.2936 0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
3 5 1 0
5 6 1 0
6 7 2 0
8 6 1 6
8 9 1 0
8 10 1 0
8 11 1 0
11 12 1 0
12 13 2 0
12 14 1 0
14 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
26 27 1 0
27 28 2 0
18 29 1 0
29 30 1 0
30 31 1 0
30 32 2 0
14 33 1 0
33 34 1 0
33 35 1 0
3 36 1 6
36 37 2 0
36 38 1 0
38 39 1 0
39 40 1 0
39 41 1 0
41 42 2 0
41 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
47 49 2 0
44 50 1 0
50 51 2 0
50 52 1 0
52 53 1 0
53 54 1 0
53 55 1 0
55 56 2 0
55 57 1 0
57 58 1 0
58 59 1 0
58 60 1 0
58 61 1 1
61 62 2 0
61 63 1 0
63 64 1 0
64 65 1 0
65 66 1 0
64 67 1 0
67 68 2 0
67 69 1 0
69 70 1 0
70 71 1 0
70 72 1 0
70 73 1 6
73 74 2 0
73 75 1 0
75 76 1 0
76 77 1 0
76 78 1 0
78 79 2 0
78 80 1 0
80 81 1 0
81 82 1 0
82 83 1 0
83 84 1 0
83 85 1 0
81 86 1 0
86 87 2 0
86 88 1 0
88 89 1 0
89 90 1 0
89 91 1 0
89 92 1 1
92 93 2 0
92 94 1 0
94 95 1 0
95 96 1 0
96 97 1 0
97 98 1 0
98 99 1 0
98100 2 0
95101 1 0
101102 2 0
101103 1 0
103104 1 0
104105 1 0
105106 1 0
104107 1 0
107108 1 0
108109 1 0
108110 1 0
28 20 1 0
28 23 1 0
1111 1 0
1112 1 0
1113 1 0
2114 1 0
2115 1 0
4116 1 0
4117 1 0
4118 1 0
5119 1 0
9120 1 0
9121 1 0
9122 1 0
10123 1 0
10124 1 0
10125 1 0
11126 1 0
14127 1 1
15128 1 0
18129 1 6
19130 1 0
19131 1 0
21132 1 0
22133 1 0
24134 1 0
25135 1 0
26136 1 0
27137 1 0
29138 1 0
31139 1 0
31140 1 0
31141 1 0
33142 1 6
34143 1 0
34144 1 0
34145 1 0
35146 1 0
35147 1 0
35148 1 0
38149 1 0
39150 1 1
40151 1 0
40152 1 0
40153 1 0
43154 1 0
44155 1 1
45156 1 0
45157 1 0
46158 1 0
46159 1 0
48160 1 0
48161 1 0
52162 1 0
53163 1 6
54164 1 0
54165 1 0
54166 1 0
57167 1 0
59168 1 0
59169 1 0
59170 1 0
60171 1 0
60172 1 0
60173 1 0
63174 1 0
64175 1 6
65176 1 0
65177 1 0
66178 1 0
69179 1 0
71180 1 0
71181 1 0
71182 1 0
72183 1 0
72184 1 0
72185 1 0
75186 1 0
76187 1 1
77188 1 0
77189 1 0
77190 1 0
80191 1 0
81192 1 6
82193 1 0
82194 1 0
83195 1 1
84196 1 0
84197 1 0
84198 1 0
85199 1 0
85200 1 0
85201 1 0
88202 1 0
90203 1 0
90204 1 0
90205 1 0
91206 1 0
91207 1 0
91208 1 0
94209 1 0
95210 1 1
96211 1 0
96212 1 0
97213 1 0
97214 1 0
99215 1 0
99216 1 0
103217 1 0
104218 1 6
105219 1 0
105220 1 0
106221 1 0
107222 1 0
107223 1 0
108224 1 6
109225 1 0
109226 1 0
109227 1 0
110228 1 0
110229 1 0
110230 1 0
M END
3D SDF for NP0003140 (Tylopeptin A)
Mrv1652307012117063D
230231 0 0 0 0 999 V2000
10.0159 4.4441 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2666 5.2141 -0.8602 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0144 4.2253 -1.8582 C 0 0 1 0 0 0 0 0 0 0 0 0
11.1331 5.0275 -3.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2719 3.9149 -1.3710 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0529 4.3394 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5533 5.1296 0.5714 O 0 0 0 0 0 0 0 0 0 0 0 0
14.4173 3.8897 0.0041 C 0 0 2 0 0 0 0 0 0 0 0 0
15.2632 5.1912 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0031 3.1427 -1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5981 3.2242 1.3168 N 0 0 0 0 0 0 0 0 0 0 0 0
14.2309 1.8563 1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8094 1.4051 0.2693 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2554 0.8898 2.5042 C 0 0 1 0 0 0 0 0 0 0 0 0
14.9731 -0.3313 2.1063 N 0 0 0 0 0 0 0 0 0 0 0 0
14.8068 -1.0855 0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9023 -0.7555 0.1051 O 0 0 0 0 0 0 0 0 0 0 0 0
15.5427 -2.2679 0.5499 C 0 0 2 0 0 0 0 0 0 0 0 0
16.5397 -2.8031 1.5074 C 0 0 2 0 0 0 0 0 0 0 0 0
17.2936 -3.9530 0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0
18.6377 -3.9282 0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0
18.9564 -5.1556 0.0593 N 0 0 0 0 0 0 0 0 0 0 0 0
17.8931 -5.9449 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7122 -7.2498 -0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5069 -7.9032 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4440 -7.1794 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6525 -5.8751 0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8623 -5.2103 0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9285 -2.1132 -0.8141 N 0 0 0 0 0 0 0 0 0 0 0 0
15.3605 -2.7695 -1.9148 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9363 -2.4158 -3.3114 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4588 -3.5995 -1.9518 O 0 0 0 0 0 0 0 0 0 0 0 0
14.6728 1.3494 3.8329 C 0 0 1 0 0 0 0 0 0 0 0 0
13.8005 2.5104 4.3355 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3859 0.2335 4.8587 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9821 3.1981 -2.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7659 2.4055 -1.0249 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2098 3.0579 -3.1649 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1014 2.1312 -3.2693 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5707 1.8599 -4.5999 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2885 0.9364 -2.3693 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3917 0.3758 -2.3622 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1946 0.5794 -1.6101 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9346 -0.4163 -0.6112 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1295 0.0326 0.5659 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8239 1.2285 1.1547 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2007 1.8059 2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6168 3.0680 2.8314 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2954 1.1591 2.9610 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2423 -1.5454 -1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9275 -1.8852 -2.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0762 -2.0993 -1.0573 N 0 0 1 0 0 0 0 0 0 0 0 0
3.8697 -2.8028 -0.8538 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8986 -3.6725 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7828 -1.7365 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9108 -1.0013 0.3860 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7633 -1.7076 -1.5021 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5791 -0.9683 -1.7046 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0734 -0.9839 -3.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8526 0.5245 -1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4179 -1.4012 -0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1326 -1.2354 0.5304 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6430 -1.9957 -1.0380 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7547 -2.4784 -0.3279 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4353 -3.5783 0.7059 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6540 -3.1261 1.7080 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3764 -1.3443 0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6726 -0.6565 1.1795 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7630 -1.1524 0.2902 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5866 -0.1706 0.9212 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9281 1.1539 1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3593 -0.6270 2.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6616 0.1282 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6505 -0.6489 -1.1312 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4395 1.2272 0.0665 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.4415 1.7841 -0.7954 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7504 2.2060 -2.1093 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4898 0.8258 -1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2352 -0.2740 -1.6353 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.8249 1.2753 -1.0465 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.0417 0.5953 -1.3564 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.2754 -0.7842 -0.9135 C 0 0 2 0 0 0 0 0 0 0 0 0
-12.3293 -1.1575 0.4972 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.0948 -0.9056 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.5326 -2.6913 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1953 1.5618 -1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.7932 2.0571 -2.1309 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.5528 1.8962 0.1612 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.5901 2.7397 0.6462 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.1753 3.1710 2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.8181 3.9754 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8272 1.9643 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.7266 0.7892 1.3829 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.1013 2.4055 0.4435 N 0 0 0 0 0 0 0 0 0 0 0 0
-18.2402 1.5361 0.7525 C 0 0 1 0 0 0 0 0 0 0 0 0
-19.4970 2.3037 0.7475 C 0 0 2 0 0 0 0 0 0 0 0 0
-19.3989 3.4208 1.7904 C 0 0 2 0 0 0 0 0 0 0 0 0
-20.6554 4.1775 1.8584 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.7414 5.3938 2.5709 N 0 0 0 0 0 0 0 0 0 0 0 0
-21.6759 3.7213 1.2713 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.2605 0.3546 -0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.9926 0.5042 -1.3978 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.5763 -0.8953 0.3423 N 0 0 0 0 0 0 0 0 0 0 0 0
-18.6052 -2.1251 -0.4796 C 0 0 2 0 0 0 0 0 0 0 0 0
-19.9509 -2.7230 -0.3308 C 0 0 2 0 0 0 0 0 0 0 0 0
-20.2312 -3.0367 1.0139 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.4540 -2.9706 -0.0763 C 0 0 1 0 0 0 0 0 0 0 0 0
-17.2221 -4.2703 -0.7140 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.2521 -5.3287 -0.5574 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8830 -4.7935 -0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0864 5.1208 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6556 3.5750 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9554 4.0044 0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2820 5.3961 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8852 6.0947 -0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8578 5.8448 -2.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4237 4.4507 -4.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1631 5.5092 -3.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8174 3.1662 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5910 6.0492 0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7595 5.3904 -0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9663 5.0913 0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4695 2.2658 -1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1034 2.9751 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9271 3.8734 -2.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9788 3.7449 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1737 0.4829 2.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7015 -0.6411 2.8185 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6691 -3.1059 0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9323 -3.2691 2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1761 -2.0577 1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3154 -3.1005 0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0
19.9481 -5.3858 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5843 -7.7865 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3811 -8.9226 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5187 -7.7292 0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8170 -5.3566 1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7365 -1.4429 -0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8063 -1.7580 -3.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2468 -3.3033 -3.8397 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1313 -1.8253 -3.7648 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7149 1.6258 3.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0008 2.1311 5.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2772 2.9882 3.4908 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3954 3.2007 4.9559 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2741 -0.3480 5.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5965 -0.4681 4.4467 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9107 0.6878 5.7861 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4729 3.6581 -3.9982 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2654 2.7291 -2.6831 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1957 2.3834 -5.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4483 0.8107 -4.8609 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5610 2.3823 -4.7619 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2959 1.2011 -1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9100 -0.8124 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0776 0.1710 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2684 -0.7763 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9098 1.1352 1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6661 2.0774 0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1436 3.5808 3.6099 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4547 3.5170 2.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4666 -3.2042 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5356 -3.4206 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8133 -2.9466 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0330 -4.3340 0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8931 -4.1327 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8448 -2.4769 -2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6903 -1.7120 -3.7014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9740 -1.1503 -3.2029 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3270 0.0363 -3.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1705 1.0276 -2.3159 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6160 0.5879 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0713 0.9562 -1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7090 -2.1836 -2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4979 -2.9514 -0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9135 -4.3770 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4288 -4.0273 0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7371 -3.4459 1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3244 -1.8057 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9394 1.1546 1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0142 1.8356 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5672 1.6895 1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6723 0.2487 2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3460 -1.0830 1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8857 -1.4077 2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3198 1.7473 0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8463 2.7110 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6611 1.8920 -2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1740 1.5683 -2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9221 3.2446 -2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8896 2.2871 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9760 0.4764 -2.5204 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5529 -1.5057 -1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2623 -1.1643 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2615 -0.7641 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1981 -1.2591 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0743 -1.4985 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9921 0.1636 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4592 -3.1186 -0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5462 -2.8951 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7236 -3.1255 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9280 1.4439 0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4186 2.4333 2.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6608 4.1426 1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.0497 3.2721 2.7552 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8880 4.6146 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1194 3.7407 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5998 4.6166 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.3145 3.2786 -0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.0411 1.1036 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.3728 1.6993 1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.6896 2.7951 -0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.5494 4.0500 1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.1613 2.9597 2.7572 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.8913 5.9419 2.8408 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.6839 5.8034 2.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8067 -1.0110 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.4264 -1.7669 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.1527 -3.6133 -0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.7144 -1.9348 -0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.4239 -2.9069 1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.5086 -2.3595 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.4733 -3.1495 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.0941 -4.1459 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.6958 -6.3054 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8504 -5.2023 0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8591 -5.4760 -1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1025 -4.4973 -0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9085 -5.8819 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.6913 -4.2936 0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
8 6 1 6 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
18 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
30 32 2 0 0 0 0
14 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
3 36 1 6 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
39 41 1 0 0 0 0
41 42 2 0 0 0 0
41 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
47 49 2 0 0 0 0
44 50 1 0 0 0 0
50 51 2 0 0 0 0
50 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
53 55 1 0 0 0 0
55 56 2 0 0 0 0
55 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
58 61 1 1 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
64 67 1 0 0 0 0
67 68 2 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
70 73 1 6 0 0 0
73 74 2 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 2 0 0 0 0
78 80 1 0 0 0 0
80 81 1 0 0 0 0
81 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
83 85 1 0 0 0 0
81 86 1 0 0 0 0
86 87 2 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
89 91 1 0 0 0 0
89 92 1 1 0 0 0
92 93 2 0 0 0 0
92 94 1 0 0 0 0
94 95 1 0 0 0 0
95 96 1 0 0 0 0
96 97 1 0 0 0 0
97 98 1 0 0 0 0
98 99 1 0 0 0 0
98100 2 0 0 0 0
95101 1 0 0 0 0
101102 2 0 0 0 0
101103 1 0 0 0 0
103104 1 0 0 0 0
104105 1 0 0 0 0
105106 1 0 0 0 0
104107 1 0 0 0 0
107108 1 0 0 0 0
108109 1 0 0 0 0
108110 1 0 0 0 0
28 20 1 0 0 0 0
28 23 1 0 0 0 0
1111 1 0 0 0 0
1112 1 0 0 0 0
1113 1 0 0 0 0
2114 1 0 0 0 0
2115 1 0 0 0 0
4116 1 0 0 0 0
4117 1 0 0 0 0
4118 1 0 0 0 0
5119 1 0 0 0 0
9120 1 0 0 0 0
9121 1 0 0 0 0
9122 1 0 0 0 0
10123 1 0 0 0 0
10124 1 0 0 0 0
10125 1 0 0 0 0
11126 1 0 0 0 0
14127 1 1 0 0 0
15128 1 0 0 0 0
18129 1 6 0 0 0
19130 1 0 0 0 0
19131 1 0 0 0 0
21132 1 0 0 0 0
22133 1 0 0 0 0
24134 1 0 0 0 0
25135 1 0 0 0 0
26136 1 0 0 0 0
27137 1 0 0 0 0
29138 1 0 0 0 0
31139 1 0 0 0 0
31140 1 0 0 0 0
31141 1 0 0 0 0
33142 1 6 0 0 0
34143 1 0 0 0 0
34144 1 0 0 0 0
34145 1 0 0 0 0
35146 1 0 0 0 0
35147 1 0 0 0 0
35148 1 0 0 0 0
38149 1 0 0 0 0
39150 1 1 0 0 0
40151 1 0 0 0 0
40152 1 0 0 0 0
40153 1 0 0 0 0
43154 1 0 0 0 0
44155 1 1 0 0 0
45156 1 0 0 0 0
45157 1 0 0 0 0
46158 1 0 0 0 0
46159 1 0 0 0 0
48160 1 0 0 0 0
48161 1 0 0 0 0
52162 1 0 0 0 0
53163 1 6 0 0 0
54164 1 0 0 0 0
54165 1 0 0 0 0
54166 1 0 0 0 0
57167 1 0 0 0 0
59168 1 0 0 0 0
59169 1 0 0 0 0
59170 1 0 0 0 0
60171 1 0 0 0 0
60172 1 0 0 0 0
60173 1 0 0 0 0
63174 1 0 0 0 0
64175 1 6 0 0 0
65176 1 0 0 0 0
65177 1 0 0 0 0
66178 1 0 0 0 0
69179 1 0 0 0 0
71180 1 0 0 0 0
71181 1 0 0 0 0
71182 1 0 0 0 0
72183 1 0 0 0 0
72184 1 0 0 0 0
72185 1 0 0 0 0
75186 1 0 0 0 0
76187 1 1 0 0 0
77188 1 0 0 0 0
77189 1 0 0 0 0
77190 1 0 0 0 0
80191 1 0 0 0 0
81192 1 6 0 0 0
82193 1 0 0 0 0
82194 1 0 0 0 0
83195 1 1 0 0 0
84196 1 0 0 0 0
84197 1 0 0 0 0
84198 1 0 0 0 0
85199 1 0 0 0 0
85200 1 0 0 0 0
85201 1 0 0 0 0
88202 1 0 0 0 0
90203 1 0 0 0 0
90204 1 0 0 0 0
90205 1 0 0 0 0
91206 1 0 0 0 0
91207 1 0 0 0 0
91208 1 0 0 0 0
94209 1 0 0 0 0
95210 1 1 0 0 0
96211 1 0 0 0 0
96212 1 0 0 0 0
97213 1 0 0 0 0
97214 1 0 0 0 0
99215 1 0 0 0 0
99216 1 0 0 0 0
103217 1 0 0 0 0
104218 1 6 0 0 0
105219 1 0 0 0 0
105220 1 0 0 0 0
106221 1 0 0 0 0
107222 1 0 0 0 0
107223 1 0 0 0 0
108224 1 6 0 0 0
109225 1 0 0 0 0
109226 1 0 0 0 0
109227 1 0 0 0 0
110228 1 0 0 0 0
110229 1 0 0 0 0
110230 1 0 0 0 0
M END
> <DATABASE_ID>
NP0003140
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])[C@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@](N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C73H120N18O19/c1-21-73(20,91-67(109)72(18,19)90-63(105)54(38(6)7)86-60(102)50(80-42(11)94)32-43-33-76-46-25-23-22-24-45(43)46)68(110)79-40(9)55(97)82-47(26-28-52(74)95)58(100)77-41(10)57(99)87-70(14,15)66(108)85-51(35-93)62(104)89-69(12,13)64(106)78-39(8)56(98)83-49(31-37(4)5)61(103)88-71(16,17)65(107)84-48(27-29-53(75)96)59(101)81-44(34-92)30-36(2)3/h22-25,33,36-41,44,47-51,54,76,92-93H,21,26-32,34-35H2,1-20H3,(H2,74,95)(H2,75,96)(H,77,100)(H,78,106)(H,79,110)(H,80,94)(H,81,101)(H,82,97)(H,83,98)(H,84,107)(H,85,108)(H,86,102)(H,87,99)(H,88,103)(H,89,104)(H,90,105)(H,91,109)/t39-,40-,41-,44-,47-,48-,49-,50-,51-,54-,73+/m0/s1
> <INCHI_KEY>
ZXSAQOASWXTEMJ-SYWGTLAGSA-N
> <FORMULA>
C73H120N18O19
> <MOLECULAR_WEIGHT>
1553.87
> <EXACT_MASS>
1552.897713716
> <JCHEM_ACCEPTOR_COUNT>
19
> <JCHEM_ATOM_COUNT>
230
> <JCHEM_AVERAGE_POLARIZABILITY>
167.81094420584563
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
20
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2R)-2-{2-[(2S)-2-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-2-methylpropanamido}-2-methylbutanamido]propanamido]butanamido]propanamido]-2-methylpropanamido}-3-hydroxypropanamido]-2-methylpropanamido}propanamido]-4-methylpentanamido]-2-methylpropanamido}-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide
> <JCHEM_LOGP>
-4.121346096666672
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
2
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.699052241772199
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.317503398860493
> <JCHEM_POLAR_SURFACE_AREA>
578.9299999999998
> <JCHEM_REFRACTIVITY>
399.14500000000015
> <JCHEM_ROTATABLE_BOND_COUNT>
45
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2R)-2-{2-[(2S)-2-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-2-methylpropanamido}-2-methylbutanamido]propanamido]butanamido]propanamido]-2-methylpropanamido}-3-hydroxypropanamido]-2-methylpropanamido}propanamido]-4-methylpentanamido]-2-methylpropanamido}-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0003140 (Tylopeptin A)
RDKit 3D
230231 0 0 0 0 0 0 0 0999 V2000
10.0159 4.4441 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2666 5.2141 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0144 4.2253 -1.8582 C 0 0 1 0 0 0 0 0 0 0 0 0
11.1331 5.0275 -3.1475 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2719 3.9149 -1.3710 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0529 4.3394 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5533 5.1296 0.5714 O 0 0 0 0 0 0 0 0 0 0 0 0
14.4173 3.8897 0.0041 C 0 0 2 0 0 0 0 0 0 0 0 0
15.2632 5.1912 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0031 3.1427 -1.1461 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5981 3.2242 1.3168 N 0 0 0 0 0 0 0 0 0 0 0 0
14.2309 1.8563 1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8094 1.4051 0.2693 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2554 0.8898 2.5042 C 0 0 1 0 0 0 0 0 0 0 0 0
14.9731 -0.3313 2.1063 N 0 0 0 0 0 0 0 0 0 0 0 0
14.8068 -1.0855 0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9023 -0.7555 0.1051 O 0 0 0 0 0 0 0 0 0 0 0 0
15.5427 -2.2679 0.5499 C 0 0 2 0 0 0 0 0 0 0 0 0
16.5397 -2.8031 1.5074 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2936 -3.9530 0.9367 C 0 0 0 0 0 0 0 0 0 0 0 0
18.6377 -3.9282 0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0
18.9564 -5.1556 0.0593 N 0 0 0 0 0 0 0 0 0 0 0 0
17.8931 -5.9449 0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0
17.7122 -7.2498 -0.2615 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5069 -7.9032 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4440 -7.1794 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6525 -5.8751 0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8623 -5.2103 0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9285 -2.1132 -0.8141 N 0 0 0 0 0 0 0 0 0 0 0 0
15.3605 -2.7695 -1.9148 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9363 -2.4158 -3.3114 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4588 -3.5995 -1.9518 O 0 0 0 0 0 0 0 0 0 0 0 0
14.6728 1.3494 3.8329 C 0 0 1 0 0 0 0 0 0 0 0 0
13.8005 2.5104 4.3355 C 0 0 0 0 0 0 0 0 0 0 0 0
14.3859 0.2335 4.8587 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9821 3.1981 -2.0014 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7659 2.4055 -1.0249 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2098 3.0579 -3.1649 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1014 2.1312 -3.2693 C 0 0 1 0 0 0 0 0 0 0 0 0
7.5707 1.8599 -4.5999 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2885 0.9364 -2.3693 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3917 0.3758 -2.3622 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1946 0.5794 -1.6101 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9346 -0.4163 -0.6112 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1295 0.0326 0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8239 1.2285 1.1547 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2007 1.8059 2.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6168 3.0680 2.8314 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2954 1.1591 2.9610 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2423 -1.5454 -1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9275 -1.8852 -2.4367 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0762 -2.0993 -1.0573 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8697 -2.8028 -0.8538 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8986 -3.6725 0.4196 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7828 -1.7365 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9108 -1.0013 0.3860 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7633 -1.7076 -1.5021 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5791 -0.9683 -1.7046 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0734 -0.9839 -3.0995 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8526 0.5245 -1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4179 -1.4012 -0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1326 -1.2354 0.5304 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6430 -1.9957 -1.0380 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.7547 -2.4784 -0.3279 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4353 -3.5783 0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6540 -3.1261 1.7080 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3764 -1.3443 0.4596 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6726 -0.6565 1.1795 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7630 -1.1524 0.2902 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5866 -0.1706 0.9212 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.9281 1.1539 1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3593 -0.6270 2.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6616 0.1282 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6505 -0.6489 -1.1312 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4395 1.2272 0.0665 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.4415 1.7841 -0.7954 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.7504 2.2060 -2.1093 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.4898 0.8258 -1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2352 -0.2740 -1.6353 O 0 0 0 0 0 0 0 0 0 0 0 0
-10.8249 1.2753 -1.0465 N 0 0 0 0 0 0 0 0 0 0 0 0
-12.0417 0.5953 -1.3564 C 0 0 1 0 0 0 0 0 0 0 0 0
-12.2754 -0.7842 -0.9135 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.3293 -1.1575 0.4972 C 0 0 2 0 0 0 0 0 0 0 0 0
-11.0948 -0.9056 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
-12.5326 -2.6913 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.1953 1.5618 -1.1612 C 0 0 0 0 0 0 0 0 0 0 0 0
-13.7932 2.0571 -2.1309 O 0 0 0 0 0 0 0 0 0 0 0 0
-13.5528 1.8962 0.1612 N 0 0 0 0 0 0 0 0 0 0 0 0
-14.5901 2.7397 0.6462 C 0 0 1 0 0 0 0 0 0 0 0 0
-14.1753 3.1710 2.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
-14.8181 3.9754 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8272 1.9643 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.7266 0.7892 1.3829 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.1013 2.4055 0.4435 N 0 0 0 0 0 0 0 0 0 0 0 0
-18.2402 1.5361 0.7525 C 0 0 1 0 0 0 0 0 0 0 0 0
-19.4970 2.3037 0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0
-19.3989 3.4208 1.7904 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.6554 4.1775 1.8584 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.7414 5.3938 2.5709 N 0 0 0 0 0 0 0 0 0 0 0 0
-21.6759 3.7213 1.2713 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.2605 0.3546 -0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.9926 0.5042 -1.3978 O 0 0 0 0 0 0 0 0 0 0 0 0
-18.5763 -0.8953 0.3423 N 0 0 0 0 0 0 0 0 0 0 0 0
-18.6052 -2.1251 -0.4796 C 0 0 2 0 0 0 0 0 0 0 0 0
-19.9509 -2.7230 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0
-20.2312 -3.0367 1.0139 O 0 0 0 0 0 0 0 0 0 0 0 0
-17.4540 -2.9706 -0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0
-17.2221 -4.2703 -0.7140 C 0 0 2 0 0 0 0 0 0 0 0 0
-18.2521 -5.3287 -0.5574 C 0 0 0 0 0 0 0 0 0 0 0 0
-15.8830 -4.7935 -0.1961 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0864 5.1208 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6556 3.5750 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9554 4.0044 0.4157 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2820 5.3961 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8852 6.0947 -0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8578 5.8448 -2.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4237 4.4507 -4.0304 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1631 5.5092 -3.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8174 3.1662 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5910 6.0492 0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7595 5.3904 -0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9663 5.0913 0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0
14.4695 2.2658 -1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1034 2.9751 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9271 3.8734 -2.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9788 3.7449 2.0840 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1737 0.4829 2.5603 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7015 -0.6411 2.8185 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6691 -3.1059 0.5427 H 0 0 0 0 0 0 0 0 0 0 0 0
15.9323 -3.2691 2.3583 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1761 -2.0577 1.9535 H 0 0 0 0 0 0 0 0 0 0 0 0
19.3154 -3.1005 0.6123 H 0 0 0 0 0 0 0 0 0 0 0 0
19.9481 -5.3858 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0
18.5843 -7.7865 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3811 -8.9226 -0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5187 -7.7292 0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8170 -5.3566 1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7365 -1.4429 -0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0
16.8063 -1.7580 -3.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2468 -3.3033 -3.8397 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1313 -1.8253 -3.7648 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7149 1.6258 3.9055 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0008 2.1311 5.0012 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2772 2.9882 3.4908 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3954 3.2007 4.9559 H 0 0 0 0 0 0 0 0 0 0 0 0
15.2741 -0.3480 5.0727 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5965 -0.4681 4.4467 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9107 0.6878 5.7861 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4729 3.6581 -3.9982 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2654 2.7291 -2.6831 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1957 2.3834 -5.4086 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4483 0.8107 -4.8609 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5610 2.3823 -4.7619 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2959 1.2011 -1.8146 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9100 -0.8124 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0776 0.1710 0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2684 -0.7763 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9098 1.1352 1.1839 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6661 2.0774 0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1436 3.5808 3.6099 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4547 3.5170 2.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4666 -3.2042 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5356 -3.4206 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8133 -2.9466 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0330 -4.3340 0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8931 -4.1327 0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8448 -2.4769 -2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6903 -1.7120 -3.7014 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9740 -1.1503 -3.2029 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3270 0.0363 -3.6192 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1705 1.0276 -2.3159 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6160 0.5879 -0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0713 0.9562 -1.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7090 -2.1836 -2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4979 -2.9514 -0.9889 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9135 -4.3770 0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4288 -4.0273 0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7371 -3.4459 1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3244 -1.8057 -0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9394 1.1546 1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0142 1.8356 0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5672 1.6895 1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6723 0.2487 2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3460 -1.0830 1.7699 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8857 -1.4077 2.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3198 1.7473 0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8463 2.7110 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6611 1.8920 -2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1740 1.5683 -2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9221 3.2446 -2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8896 2.2871 -0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.9760 0.4764 -2.5204 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.5529 -1.5057 -1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2623 -1.1643 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.2615 -0.7641 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.1981 -1.2591 0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.0743 -1.4985 2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9921 0.1636 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.4592 -3.1186 -0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.5462 -2.8951 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.7236 -3.1255 1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0
-12.9280 1.4439 0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.4186 2.4333 2.4859 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.6608 4.1426 1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.0497 3.2721 2.7552 H 0 0 0 0 0 0 0 0 0 0 0 0
-13.8880 4.6146 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1194 3.7407 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.5998 4.6166 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.3145 3.2786 -0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.0411 1.1036 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.3728 1.6993 1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.6896 2.7951 -0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.5494 4.0500 1.4713 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.1613 2.9597 2.7572 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.8913 5.9419 2.8408 H 0 0 0 0 0 0 0 0 0 0 0 0
-21.6839 5.8034 2.8659 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8067 -1.0110 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.4264 -1.7669 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.1527 -3.6133 -0.9156 H 0 0 0 0 0 0 0 0 0 0 0 0
-20.7144 -1.9348 -0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
-19.4239 -2.9069 1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0
-16.5086 -2.3595 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.4733 -3.1495 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.0941 -4.1459 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0
-17.6958 -6.3054 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8504 -5.2023 0.3434 H 0 0 0 0 0 0 0 0 0 0 0 0
-18.8591 -5.4760 -1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.1025 -4.4973 -0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.9085 -5.8819 -0.0479 H 0 0 0 0 0 0 0 0 0 0 0 0
-15.6913 -4.2936 0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
3 5 1 0
5 6 1 0
6 7 2 0
8 6 1 6
8 9 1 0
8 10 1 0
8 11 1 0
11 12 1 0
12 13 2 0
12 14 1 0
14 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 0
21 22 1 0
22 23 1 0
23 24 2 0
24 25 1 0
25 26 2 0
26 27 1 0
27 28 2 0
18 29 1 0
29 30 1 0
30 31 1 0
30 32 2 0
14 33 1 0
33 34 1 0
33 35 1 0
3 36 1 6
36 37 2 0
36 38 1 0
38 39 1 0
39 40 1 0
39 41 1 0
41 42 2 0
41 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
47 49 2 0
44 50 1 0
50 51 2 0
50 52 1 0
52 53 1 0
53 54 1 0
53 55 1 0
55 56 2 0
55 57 1 0
57 58 1 0
58 59 1 0
58 60 1 0
58 61 1 1
61 62 2 0
61 63 1 0
63 64 1 0
64 65 1 0
65 66 1 0
64 67 1 0
67 68 2 0
67 69 1 0
69 70 1 0
70 71 1 0
70 72 1 0
70 73 1 6
73 74 2 0
73 75 1 0
75 76 1 0
76 77 1 0
76 78 1 0
78 79 2 0
78 80 1 0
80 81 1 0
81 82 1 0
82 83 1 0
83 84 1 0
83 85 1 0
81 86 1 0
86 87 2 0
86 88 1 0
88 89 1 0
89 90 1 0
89 91 1 0
89 92 1 1
92 93 2 0
92 94 1 0
94 95 1 0
95 96 1 0
96 97 1 0
97 98 1 0
98 99 1 0
98100 2 0
95101 1 0
101102 2 0
101103 1 0
103104 1 0
104105 1 0
105106 1 0
104107 1 0
107108 1 0
108109 1 0
108110 1 0
28 20 1 0
28 23 1 0
1111 1 0
1112 1 0
1113 1 0
2114 1 0
2115 1 0
4116 1 0
4117 1 0
4118 1 0
5119 1 0
9120 1 0
9121 1 0
9122 1 0
10123 1 0
10124 1 0
10125 1 0
11126 1 0
14127 1 1
15128 1 0
18129 1 6
19130 1 0
19131 1 0
21132 1 0
22133 1 0
24134 1 0
25135 1 0
26136 1 0
27137 1 0
29138 1 0
31139 1 0
31140 1 0
31141 1 0
33142 1 6
34143 1 0
34144 1 0
34145 1 0
35146 1 0
35147 1 0
35148 1 0
38149 1 0
39150 1 1
40151 1 0
40152 1 0
40153 1 0
43154 1 0
44155 1 1
45156 1 0
45157 1 0
46158 1 0
46159 1 0
48160 1 0
48161 1 0
52162 1 0
53163 1 6
54164 1 0
54165 1 0
54166 1 0
57167 1 0
59168 1 0
59169 1 0
59170 1 0
60171 1 0
60172 1 0
60173 1 0
63174 1 0
64175 1 6
65176 1 0
65177 1 0
66178 1 0
69179 1 0
71180 1 0
71181 1 0
71182 1 0
72183 1 0
72184 1 0
72185 1 0
75186 1 0
76187 1 1
77188 1 0
77189 1 0
77190 1 0
80191 1 0
81192 1 6
82193 1 0
82194 1 0
83195 1 1
84196 1 0
84197 1 0
84198 1 0
85199 1 0
85200 1 0
85201 1 0
88202 1 0
90203 1 0
90204 1 0
90205 1 0
91206 1 0
91207 1 0
91208 1 0
94209 1 0
95210 1 1
96211 1 0
96212 1 0
97213 1 0
97214 1 0
99215 1 0
99216 1 0
103217 1 0
104218 1 6
105219 1 0
105220 1 0
106221 1 0
107222 1 0
107223 1 0
108224 1 6
109225 1 0
109226 1 0
109227 1 0
110228 1 0
110229 1 0
110230 1 0
M END
PDB for NP0003140 (Tylopeptin A)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 10.016 4.444 0.397 0.00 0.00 C+0 HETATM 2 C UNK 0 10.267 5.214 -0.860 0.00 0.00 C+0 HETATM 3 C UNK 0 11.014 4.225 -1.858 0.00 0.00 C+0 HETATM 4 C UNK 0 11.133 5.027 -3.147 0.00 0.00 C+0 HETATM 5 N UNK 0 12.272 3.915 -1.371 0.00 0.00 N+0 HETATM 6 C UNK 0 13.053 4.339 -0.247 0.00 0.00 C+0 HETATM 7 O UNK 0 12.553 5.130 0.571 0.00 0.00 O+0 HETATM 8 C UNK 0 14.417 3.890 0.004 0.00 0.00 C+0 HETATM 9 C UNK 0 15.263 5.191 0.091 0.00 0.00 C+0 HETATM 10 C UNK 0 15.003 3.143 -1.146 0.00 0.00 C+0 HETATM 11 N UNK 0 14.598 3.224 1.317 0.00 0.00 N+0 HETATM 12 C UNK 0 14.231 1.856 1.412 0.00 0.00 C+0 HETATM 13 O UNK 0 13.809 1.405 0.269 0.00 0.00 O+0 HETATM 14 C UNK 0 14.255 0.890 2.504 0.00 0.00 C+0 HETATM 15 N UNK 0 14.973 -0.331 2.106 0.00 0.00 N+0 HETATM 16 C UNK 0 14.807 -1.085 0.971 0.00 0.00 C+0 HETATM 17 O UNK 0 13.902 -0.756 0.105 0.00 0.00 O+0 HETATM 18 C UNK 0 15.543 -2.268 0.550 0.00 0.00 C+0 HETATM 19 C UNK 0 16.540 -2.803 1.507 0.00 0.00 C+0 HETATM 20 C UNK 0 17.294 -3.953 0.937 0.00 0.00 C+0 HETATM 21 C UNK 0 18.638 -3.928 0.542 0.00 0.00 C+0 HETATM 22 N UNK 0 18.956 -5.156 0.059 0.00 0.00 N+0 HETATM 23 C UNK 0 17.893 -5.945 0.125 0.00 0.00 C+0 HETATM 24 C UNK 0 17.712 -7.250 -0.262 0.00 0.00 C+0 HETATM 25 C UNK 0 16.507 -7.903 -0.132 0.00 0.00 C+0 HETATM 26 C UNK 0 15.444 -7.179 0.423 0.00 0.00 C+0 HETATM 27 C UNK 0 15.652 -5.875 0.800 0.00 0.00 C+0 HETATM 28 C UNK 0 16.862 -5.210 0.669 0.00 0.00 C+0 HETATM 29 N UNK 0 15.928 -2.113 -0.814 0.00 0.00 N+0 HETATM 30 C UNK 0 15.361 -2.769 -1.915 0.00 0.00 C+0 HETATM 31 C UNK 0 15.936 -2.416 -3.311 0.00 0.00 C+0 HETATM 32 O UNK 0 14.459 -3.599 -1.952 0.00 0.00 O+0 HETATM 33 C UNK 0 14.673 1.349 3.833 0.00 0.00 C+0 HETATM 34 C UNK 0 13.800 2.510 4.335 0.00 0.00 C+0 HETATM 35 C UNK 0 14.386 0.234 4.859 0.00 0.00 C+0 HETATM 36 C UNK 0 9.982 3.198 -2.001 0.00 0.00 C+0 HETATM 37 O UNK 0 9.766 2.406 -1.025 0.00 0.00 O+0 HETATM 38 N UNK 0 9.210 3.058 -3.165 0.00 0.00 N+0 HETATM 39 C UNK 0 8.101 2.131 -3.269 0.00 0.00 C+0 HETATM 40 C UNK 0 7.571 1.860 -4.600 0.00 0.00 C+0 HETATM 41 C UNK 0 8.289 0.936 -2.369 0.00 0.00 C+0 HETATM 42 O UNK 0 9.392 0.376 -2.362 0.00 0.00 O+0 HETATM 43 N UNK 0 7.195 0.579 -1.610 0.00 0.00 N+0 HETATM 44 C UNK 0 6.935 -0.416 -0.611 0.00 0.00 C+0 HETATM 45 C UNK 0 6.130 0.033 0.566 0.00 0.00 C+0 HETATM 46 C UNK 0 6.824 1.228 1.155 0.00 0.00 C+0 HETATM 47 C UNK 0 6.201 1.806 2.359 0.00 0.00 C+0 HETATM 48 N UNK 0 6.617 3.068 2.831 0.00 0.00 N+0 HETATM 49 O UNK 0 5.295 1.159 2.961 0.00 0.00 O+0 HETATM 50 C UNK 0 6.242 -1.545 -1.398 0.00 0.00 C+0 HETATM 51 O UNK 0 6.928 -1.885 -2.437 0.00 0.00 O+0 HETATM 52 N UNK 0 5.076 -2.099 -1.057 0.00 0.00 N+0 HETATM 53 C UNK 0 3.870 -2.803 -0.854 0.00 0.00 C+0 HETATM 54 C UNK 0 3.899 -3.672 0.420 0.00 0.00 C+0 HETATM 55 C UNK 0 2.783 -1.736 -0.583 0.00 0.00 C+0 HETATM 56 O UNK 0 2.911 -1.001 0.386 0.00 0.00 O+0 HETATM 57 N UNK 0 1.763 -1.708 -1.502 0.00 0.00 N+0 HETATM 58 C UNK 0 0.579 -0.968 -1.705 0.00 0.00 C+0 HETATM 59 C UNK 0 0.073 -0.984 -3.099 0.00 0.00 C+0 HETATM 60 C UNK 0 0.853 0.525 -1.367 0.00 0.00 C+0 HETATM 61 C UNK 0 -0.418 -1.401 -0.661 0.00 0.00 C+0 HETATM 62 O UNK 0 -0.133 -1.235 0.530 0.00 0.00 O+0 HETATM 63 N UNK 0 -1.643 -1.996 -1.038 0.00 0.00 N+0 HETATM 64 C UNK 0 -2.755 -2.478 -0.328 0.00 0.00 C+0 HETATM 65 C UNK 0 -2.435 -3.578 0.706 0.00 0.00 C+0 HETATM 66 O UNK 0 -1.654 -3.126 1.708 0.00 0.00 O+0 HETATM 67 C UNK 0 -3.376 -1.344 0.460 0.00 0.00 C+0 HETATM 68 O UNK 0 -2.673 -0.657 1.180 0.00 0.00 O+0 HETATM 69 N UNK 0 -4.763 -1.152 0.290 0.00 0.00 N+0 HETATM 70 C UNK 0 -5.587 -0.171 0.921 0.00 0.00 C+0 HETATM 71 C UNK 0 -4.928 1.154 1.061 0.00 0.00 C+0 HETATM 72 C UNK 0 -6.359 -0.627 2.102 0.00 0.00 C+0 HETATM 73 C UNK 0 -6.662 0.128 -0.183 0.00 0.00 C+0 HETATM 74 O UNK 0 -6.651 -0.649 -1.131 0.00 0.00 O+0 HETATM 75 N UNK 0 -7.439 1.227 0.067 0.00 0.00 N+0 HETATM 76 C UNK 0 -8.441 1.784 -0.795 0.00 0.00 C+0 HETATM 77 C UNK 0 -7.750 2.206 -2.109 0.00 0.00 C+0 HETATM 78 C UNK 0 -9.490 0.826 -1.205 0.00 0.00 C+0 HETATM 79 O UNK 0 -9.235 -0.274 -1.635 0.00 0.00 O+0 HETATM 80 N UNK 0 -10.825 1.275 -1.046 0.00 0.00 N+0 HETATM 81 C UNK 0 -12.042 0.595 -1.356 0.00 0.00 C+0 HETATM 82 C UNK 0 -12.275 -0.784 -0.914 0.00 0.00 C+0 HETATM 83 C UNK 0 -12.329 -1.157 0.497 0.00 0.00 C+0 HETATM 84 C UNK 0 -11.095 -0.906 1.312 0.00 0.00 C+0 HETATM 85 C UNK 0 -12.533 -2.691 0.545 0.00 0.00 C+0 HETATM 86 C UNK 0 -13.195 1.562 -1.161 0.00 0.00 C+0 HETATM 87 O UNK 0 -13.793 2.057 -2.131 0.00 0.00 O+0 HETATM 88 N UNK 0 -13.553 1.896 0.161 0.00 0.00 N+0 HETATM 89 C UNK 0 -14.590 2.740 0.646 0.00 0.00 C+0 HETATM 90 C UNK 0 -14.175 3.171 2.112 0.00 0.00 C+0 HETATM 91 C UNK 0 -14.818 3.975 -0.135 0.00 0.00 C+0 HETATM 92 C UNK 0 -15.827 1.964 0.828 0.00 0.00 C+0 HETATM 93 O UNK 0 -15.727 0.789 1.383 0.00 0.00 O+0 HETATM 94 N UNK 0 -17.101 2.406 0.444 0.00 0.00 N+0 HETATM 95 C UNK 0 -18.240 1.536 0.753 0.00 0.00 C+0 HETATM 96 C UNK 0 -19.497 2.304 0.748 0.00 0.00 C+0 HETATM 97 C UNK 0 -19.399 3.421 1.790 0.00 0.00 C+0 HETATM 98 C UNK 0 -20.655 4.178 1.858 0.00 0.00 C+0 HETATM 99 N UNK 0 -20.741 5.394 2.571 0.00 0.00 N+0 HETATM 100 O UNK 0 -21.676 3.721 1.271 0.00 0.00 O+0 HETATM 101 C UNK 0 -18.261 0.355 -0.187 0.00 0.00 C+0 HETATM 102 O UNK 0 -17.993 0.504 -1.398 0.00 0.00 O+0 HETATM 103 N UNK 0 -18.576 -0.895 0.342 0.00 0.00 N+0 HETATM 104 C UNK 0 -18.605 -2.125 -0.480 0.00 0.00 C+0 HETATM 105 C UNK 0 -19.951 -2.723 -0.331 0.00 0.00 C+0 HETATM 106 O UNK 0 -20.231 -3.037 1.014 0.00 0.00 O+0 HETATM 107 C UNK 0 -17.454 -2.971 -0.076 0.00 0.00 C+0 HETATM 108 C UNK 0 -17.222 -4.270 -0.714 0.00 0.00 C+0 HETATM 109 C UNK 0 -18.252 -5.329 -0.557 0.00 0.00 C+0 HETATM 110 C UNK 0 -15.883 -4.793 -0.196 0.00 0.00 C+0 HETATM 111 H UNK 0 10.086 5.121 1.302 0.00 0.00 H+0 HETATM 112 H UNK 0 10.656 3.575 0.570 0.00 0.00 H+0 HETATM 113 H UNK 0 8.955 4.004 0.416 0.00 0.00 H+0 HETATM 114 H UNK 0 9.282 5.396 -1.319 0.00 0.00 H+0 HETATM 115 H UNK 0 10.885 6.095 -0.758 0.00 0.00 H+0 HETATM 116 H UNK 0 11.858 5.845 -2.989 0.00 0.00 H+0 HETATM 117 H UNK 0 11.424 4.451 -4.030 0.00 0.00 H+0 HETATM 118 H UNK 0 10.163 5.509 -3.418 0.00 0.00 H+0 HETATM 119 H UNK 0 12.817 3.166 -1.956 0.00 0.00 H+0 HETATM 120 H UNK 0 14.591 6.049 0.298 0.00 0.00 H+0 HETATM 121 H UNK 0 15.759 5.390 -0.870 0.00 0.00 H+0 HETATM 122 H UNK 0 15.966 5.091 0.940 0.00 0.00 H+0 HETATM 123 H UNK 0 14.470 2.266 -1.484 0.00 0.00 H+0 HETATM 124 H UNK 0 16.103 2.975 -1.034 0.00 0.00 H+0 HETATM 125 H UNK 0 14.927 3.873 -2.027 0.00 0.00 H+0 HETATM 126 H UNK 0 14.979 3.745 2.084 0.00 0.00 H+0 HETATM 127 H UNK 0 13.174 0.483 2.560 0.00 0.00 H+0 HETATM 128 H UNK 0 15.701 -0.641 2.818 0.00 0.00 H+0 HETATM 129 H UNK 0 14.669 -3.106 0.543 0.00 0.00 H+0 HETATM 130 H UNK 0 15.932 -3.269 2.358 0.00 0.00 H+0 HETATM 131 H UNK 0 17.176 -2.058 1.954 0.00 0.00 H+0 HETATM 132 H UNK 0 19.315 -3.100 0.612 0.00 0.00 H+0 HETATM 133 H UNK 0 19.948 -5.386 -0.294 0.00 0.00 H+0 HETATM 134 H UNK 0 18.584 -7.787 -0.680 0.00 0.00 H+0 HETATM 135 H UNK 0 16.381 -8.923 -0.446 0.00 0.00 H+0 HETATM 136 H UNK 0 14.519 -7.729 0.508 0.00 0.00 H+0 HETATM 137 H UNK 0 14.817 -5.357 1.230 0.00 0.00 H+0 HETATM 138 H UNK 0 16.736 -1.443 -0.985 0.00 0.00 H+0 HETATM 139 H UNK 0 16.806 -1.758 -3.163 0.00 0.00 H+0 HETATM 140 H UNK 0 16.247 -3.303 -3.840 0.00 0.00 H+0 HETATM 141 H UNK 0 15.131 -1.825 -3.765 0.00 0.00 H+0 HETATM 142 H UNK 0 15.715 1.626 3.906 0.00 0.00 H+0 HETATM 143 H UNK 0 13.001 2.131 5.001 0.00 0.00 H+0 HETATM 144 H UNK 0 13.277 2.988 3.491 0.00 0.00 H+0 HETATM 145 H UNK 0 14.395 3.201 4.956 0.00 0.00 H+0 HETATM 146 H UNK 0 15.274 -0.348 5.073 0.00 0.00 H+0 HETATM 147 H UNK 0 13.597 -0.468 4.447 0.00 0.00 H+0 HETATM 148 H UNK 0 13.911 0.688 5.786 0.00 0.00 H+0 HETATM 149 H UNK 0 9.473 3.658 -3.998 0.00 0.00 H+0 HETATM 150 H UNK 0 7.265 2.729 -2.683 0.00 0.00 H+0 HETATM 151 H UNK 0 8.196 2.383 -5.409 0.00 0.00 H+0 HETATM 152 H UNK 0 7.448 0.811 -4.861 0.00 0.00 H+0 HETATM 153 H UNK 0 6.561 2.382 -4.762 0.00 0.00 H+0 HETATM 154 H UNK 0 6.296 1.201 -1.815 0.00 0.00 H+0 HETATM 155 H UNK 0 7.910 -0.812 -0.264 0.00 0.00 H+0 HETATM 156 H UNK 0 5.078 0.171 0.429 0.00 0.00 H+0 HETATM 157 H UNK 0 6.268 -0.776 1.368 0.00 0.00 H+0 HETATM 158 H UNK 0 7.910 1.135 1.184 0.00 0.00 H+0 HETATM 159 H UNK 0 6.666 2.077 0.369 0.00 0.00 H+0 HETATM 160 H UNK 0 6.144 3.581 3.610 0.00 0.00 H+0 HETATM 161 H UNK 0 7.455 3.517 2.369 0.00 0.00 H+0 HETATM 162 H UNK 0 5.467 -3.204 -1.811 0.00 0.00 H+0 HETATM 163 H UNK 0 3.536 -3.421 -1.682 0.00 0.00 H+0 HETATM 164 H UNK 0 3.813 -2.947 1.288 0.00 0.00 H+0 HETATM 165 H UNK 0 3.033 -4.334 0.461 0.00 0.00 H+0 HETATM 166 H UNK 0 4.893 -4.133 0.500 0.00 0.00 H+0 HETATM 167 H UNK 0 1.845 -2.477 -2.330 0.00 0.00 H+0 HETATM 168 H UNK 0 0.690 -1.712 -3.701 0.00 0.00 H+0 HETATM 169 H UNK 0 -0.974 -1.150 -3.203 0.00 0.00 H+0 HETATM 170 H UNK 0 0.327 0.036 -3.619 0.00 0.00 H+0 HETATM 171 H UNK 0 1.171 1.028 -2.316 0.00 0.00 H+0 HETATM 172 H UNK 0 1.616 0.588 -0.595 0.00 0.00 H+0 HETATM 173 H UNK 0 -0.071 0.956 -1.002 0.00 0.00 H+0 HETATM 174 H UNK 0 -1.709 -2.184 -2.122 0.00 0.00 H+0 HETATM 175 H UNK 0 -3.498 -2.951 -0.989 0.00 0.00 H+0 HETATM 176 H UNK 0 -1.914 -4.377 0.119 0.00 0.00 H+0 HETATM 177 H UNK 0 -3.429 -4.027 0.994 0.00 0.00 H+0 HETATM 178 H UNK 0 -0.737 -3.446 1.661 0.00 0.00 H+0 HETATM 179 H UNK 0 -5.324 -1.806 -0.362 0.00 0.00 H+0 HETATM 180 H UNK 0 -3.939 1.155 1.507 0.00 0.00 H+0 HETATM 181 H UNK 0 -5.014 1.836 0.182 0.00 0.00 H+0 HETATM 182 H UNK 0 -5.567 1.690 1.874 0.00 0.00 H+0 HETATM 183 H UNK 0 -6.672 0.249 2.722 0.00 0.00 H+0 HETATM 184 H UNK 0 -7.346 -1.083 1.770 0.00 0.00 H+0 HETATM 185 H UNK 0 -5.886 -1.408 2.737 0.00 0.00 H+0 HETATM 186 H UNK 0 -7.320 1.747 0.992 0.00 0.00 H+0 HETATM 187 H UNK 0 -8.846 2.711 -0.381 0.00 0.00 H+0 HETATM 188 H UNK 0 -6.661 1.892 -2.068 0.00 0.00 H+0 HETATM 189 H UNK 0 -8.174 1.568 -2.904 0.00 0.00 H+0 HETATM 190 H UNK 0 -7.922 3.245 -2.356 0.00 0.00 H+0 HETATM 191 H UNK 0 -10.890 2.287 -0.641 0.00 0.00 H+0 HETATM 192 H UNK 0 -11.976 0.476 -2.520 0.00 0.00 H+0 HETATM 193 H UNK 0 -11.553 -1.506 -1.427 0.00 0.00 H+0 HETATM 194 H UNK 0 -13.262 -1.164 -1.383 0.00 0.00 H+0 HETATM 195 H UNK 0 -13.261 -0.764 0.999 0.00 0.00 H+0 HETATM 196 H UNK 0 -10.198 -1.259 0.736 0.00 0.00 H+0 HETATM 197 H UNK 0 -11.074 -1.498 2.256 0.00 0.00 H+0 HETATM 198 H UNK 0 -10.992 0.164 1.537 0.00 0.00 H+0 HETATM 199 H UNK 0 -12.459 -3.119 -0.499 0.00 0.00 H+0 HETATM 200 H UNK 0 -13.546 -2.895 0.985 0.00 0.00 H+0 HETATM 201 H UNK 0 -11.724 -3.126 1.140 0.00 0.00 H+0 HETATM 202 H UNK 0 -12.928 1.444 0.927 0.00 0.00 H+0 HETATM 203 H UNK 0 -13.419 2.433 2.486 0.00 0.00 H+0 HETATM 204 H UNK 0 -13.661 4.143 2.000 0.00 0.00 H+0 HETATM 205 H UNK 0 -15.050 3.272 2.755 0.00 0.00 H+0 HETATM 206 H UNK 0 -13.888 4.615 -0.122 0.00 0.00 H+0 HETATM 207 H UNK 0 -15.119 3.741 -1.205 0.00 0.00 H+0 HETATM 208 H UNK 0 -15.600 4.617 0.335 0.00 0.00 H+0 HETATM 209 H UNK 0 -17.314 3.279 -0.038 0.00 0.00 H+0 HETATM 210 H UNK 0 -18.041 1.104 1.764 0.00 0.00 H+0 HETATM 211 H UNK 0 -20.373 1.699 1.049 0.00 0.00 H+0 HETATM 212 H UNK 0 -19.690 2.795 -0.265 0.00 0.00 H+0 HETATM 213 H UNK 0 -18.549 4.050 1.471 0.00 0.00 H+0 HETATM 214 H UNK 0 -19.161 2.960 2.757 0.00 0.00 H+0 HETATM 215 H UNK 0 -19.891 5.942 2.841 0.00 0.00 H+0 HETATM 216 H UNK 0 -21.684 5.803 2.866 0.00 0.00 H+0 HETATM 217 H UNK 0 -18.807 -1.011 1.368 0.00 0.00 H+0 HETATM 218 H UNK 0 -18.426 -1.767 -1.533 0.00 0.00 H+0 HETATM 219 H UNK 0 -20.153 -3.613 -0.916 0.00 0.00 H+0 HETATM 220 H UNK 0 -20.714 -1.935 -0.620 0.00 0.00 H+0 HETATM 221 H UNK 0 -19.424 -2.907 1.561 0.00 0.00 H+0 HETATM 222 H UNK 0 -16.509 -2.360 -0.221 0.00 0.00 H+0 HETATM 223 H UNK 0 -17.473 -3.150 1.042 0.00 0.00 H+0 HETATM 224 H UNK 0 -17.094 -4.146 -1.858 0.00 0.00 H+0 HETATM 225 H UNK 0 -17.696 -6.305 -0.460 0.00 0.00 H+0 HETATM 226 H UNK 0 -18.850 -5.202 0.343 0.00 0.00 H+0 HETATM 227 H UNK 0 -18.859 -5.476 -1.490 0.00 0.00 H+0 HETATM 228 H UNK 0 -15.102 -4.497 -0.928 0.00 0.00 H+0 HETATM 229 H UNK 0 -15.909 -5.882 -0.048 0.00 0.00 H+0 HETATM 230 H UNK 0 -15.691 -4.294 0.795 0.00 0.00 H+0 CONECT 1 2 111 112 113 CONECT 2 1 3 114 115 CONECT 3 2 4 5 36 CONECT 4 3 116 117 118 CONECT 5 3 6 119 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 10 11 CONECT 9 8 120 121 122 CONECT 10 8 123 124 125 CONECT 11 8 12 126 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 33 127 CONECT 15 14 16 128 CONECT 16 15 17 18 CONECT 17 16 CONECT 18 16 19 29 129 CONECT 19 18 20 130 131 CONECT 20 19 21 28 CONECT 21 20 22 132 CONECT 22 21 23 133 CONECT 23 22 24 28 CONECT 24 23 25 134 CONECT 25 24 26 135 CONECT 26 25 27 136 CONECT 27 26 28 137 CONECT 28 27 20 23 CONECT 29 18 30 138 CONECT 30 29 31 32 CONECT 31 30 139 140 141 CONECT 32 30 CONECT 33 14 34 35 142 CONECT 34 33 143 144 145 CONECT 35 33 146 147 148 CONECT 36 3 37 38 CONECT 37 36 CONECT 38 36 39 149 CONECT 39 38 40 41 150 CONECT 40 39 151 152 153 CONECT 41 39 42 43 CONECT 42 41 CONECT 43 41 44 154 CONECT 44 43 45 50 155 CONECT 45 44 46 156 157 CONECT 46 45 47 158 159 CONECT 47 46 48 49 CONECT 48 47 160 161 CONECT 49 47 CONECT 50 44 51 52 CONECT 51 50 CONECT 52 50 53 162 CONECT 53 52 54 55 163 CONECT 54 53 164 165 166 CONECT 55 53 56 57 CONECT 56 55 CONECT 57 55 58 167 CONECT 58 57 59 60 61 CONECT 59 58 168 169 170 CONECT 60 58 171 172 173 CONECT 61 58 62 63 CONECT 62 61 CONECT 63 61 64 174 CONECT 64 63 65 67 175 CONECT 65 64 66 176 177 CONECT 66 65 178 CONECT 67 64 68 69 CONECT 68 67 CONECT 69 67 70 179 CONECT 70 69 71 72 73 CONECT 71 70 180 181 182 CONECT 72 70 183 184 185 CONECT 73 70 74 75 CONECT 74 73 CONECT 75 73 76 186 CONECT 76 75 77 78 187 CONECT 77 76 188 189 190 CONECT 78 76 79 80 CONECT 79 78 CONECT 80 78 81 191 CONECT 81 80 82 86 192 CONECT 82 81 83 193 194 CONECT 83 82 84 85 195 CONECT 84 83 196 197 198 CONECT 85 83 199 200 201 CONECT 86 81 87 88 CONECT 87 86 CONECT 88 86 89 202 CONECT 89 88 90 91 92 CONECT 90 89 203 204 205 CONECT 91 89 206 207 208 CONECT 92 89 93 94 CONECT 93 92 CONECT 94 92 95 209 CONECT 95 94 96 101 210 CONECT 96 95 97 211 212 CONECT 97 96 98 213 214 CONECT 98 97 99 100 CONECT 99 98 215 216 CONECT 100 98 CONECT 101 95 102 103 CONECT 102 101 CONECT 103 101 104 217 CONECT 104 103 105 107 218 CONECT 105 104 106 219 220 CONECT 106 105 221 CONECT 107 104 108 222 223 CONECT 108 107 109 110 224 CONECT 109 108 225 226 227 CONECT 110 108 228 229 230 CONECT 111 1 CONECT 112 1 CONECT 113 1 CONECT 114 2 CONECT 115 2 CONECT 116 4 CONECT 117 4 CONECT 118 4 CONECT 119 5 CONECT 120 9 CONECT 121 9 CONECT 122 9 CONECT 123 10 CONECT 124 10 CONECT 125 10 CONECT 126 11 CONECT 127 14 CONECT 128 15 CONECT 129 18 CONECT 130 19 CONECT 131 19 CONECT 132 21 CONECT 133 22 CONECT 134 24 CONECT 135 25 CONECT 136 26 CONECT 137 27 CONECT 138 29 CONECT 139 31 CONECT 140 31 CONECT 141 31 CONECT 142 33 CONECT 143 34 CONECT 144 34 CONECT 145 34 CONECT 146 35 CONECT 147 35 CONECT 148 35 CONECT 149 38 CONECT 150 39 CONECT 151 40 CONECT 152 40 CONECT 153 40 CONECT 154 43 CONECT 155 44 CONECT 156 45 CONECT 157 45 CONECT 158 46 CONECT 159 46 CONECT 160 48 CONECT 161 48 CONECT 162 52 CONECT 163 53 CONECT 164 54 CONECT 165 54 CONECT 166 54 CONECT 167 57 CONECT 168 59 CONECT 169 59 CONECT 170 59 CONECT 171 60 CONECT 172 60 CONECT 173 60 CONECT 174 63 CONECT 175 64 CONECT 176 65 CONECT 177 65 CONECT 178 66 CONECT 179 69 CONECT 180 71 CONECT 181 71 CONECT 182 71 CONECT 183 72 CONECT 184 72 CONECT 185 72 CONECT 186 75 CONECT 187 76 CONECT 188 77 CONECT 189 77 CONECT 190 77 CONECT 191 80 CONECT 192 81 CONECT 193 82 CONECT 194 82 CONECT 195 83 CONECT 196 84 CONECT 197 84 CONECT 198 84 CONECT 199 85 CONECT 200 85 CONECT 201 85 CONECT 202 88 CONECT 203 90 CONECT 204 90 CONECT 205 90 CONECT 206 91 CONECT 207 91 CONECT 208 91 CONECT 209 94 CONECT 210 95 CONECT 211 96 CONECT 212 96 CONECT 213 97 CONECT 214 97 CONECT 215 99 CONECT 216 99 CONECT 217 103 CONECT 218 104 CONECT 219 105 CONECT 220 105 CONECT 221 106 CONECT 222 107 CONECT 223 107 CONECT 224 108 CONECT 225 109 CONECT 226 109 CONECT 227 109 CONECT 228 110 CONECT 229 110 CONECT 230 110 MASTER 0 0 0 0 0 0 0 0 230 0 462 0 END SMILES for NP0003140 (Tylopeptin A)[H]OC([H])([H])[C@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@](N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C([H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])C(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C(=O)N([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0003140 (Tylopeptin A)InChI=1S/C73H120N18O19/c1-21-73(20,91-67(109)72(18,19)90-63(105)54(38(6)7)86-60(102)50(80-42(11)94)32-43-33-76-46-25-23-22-24-45(43)46)68(110)79-40(9)55(97)82-47(26-28-52(74)95)58(100)77-41(10)57(99)87-70(14,15)66(108)85-51(35-93)62(104)89-69(12,13)64(106)78-39(8)56(98)83-49(31-37(4)5)61(103)88-71(16,17)65(107)84-48(27-29-53(75)96)59(101)81-44(34-92)30-36(2)3/h22-25,33,36-41,44,47-51,54,76,92-93H,21,26-32,34-35H2,1-20H3,(H2,74,95)(H2,75,96)(H,77,100)(H,78,106)(H,79,110)(H,80,94)(H,81,101)(H,82,97)(H,83,98)(H,84,107)(H,85,108)(H,86,102)(H,87,99)(H,88,103)(H,89,104)(H,90,105)(H,91,109)/t39-,40-,41-,44-,47-,48-,49-,50-,51-,54-,73+/m0/s1 3D Structure for NP0003140 (Tylopeptin A) | ||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| ||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2R)-2-{2-[(2S)-2-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-2-methylpropanamido}-2-methylbutanamido]propanamido]butanamido]propanamido]-2-methylpropanamido}-3-hydroxypropanamido]-2-methylpropanamido}propanamido]-4-methylpentanamido]-2-methylpropanamido}-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide | ||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S)-2-{2-[(2S)-2-[(2S)-2-{2-[(2S)-2-{2-[(2S)-2-[(2S)-4-carbamoyl-2-[(2S)-2-[(2R)-2-{2-[(2S)-2-[(2S)-2-acetamido-3-(1H-indol-3-yl)propanamido]-3-methylbutanamido]-2-methylpropanamido}-2-methylbutanamido]propanamido]butanamido]propanamido]-2-methylpropanamido}-3-hydroxypropanamido]-2-methylpropanamido}propanamido]-4-methylpentanamido]-2-methylpropanamido}-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide | ||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC[C@@](C)(NC(=O)C(C)(C)NC(=O)[C@@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(C)=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N[C@@H](CO)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC(C)C | ||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C73H120N18O19/c1-21-73(20,91-67(109)72(18,19)90-63(105)54(38(6)7)86-60(102)50(80-42(11)94)32-43-33-76-46-25-23-22-24-45(43)46)68(110)79-40(9)55(97)82-47(26-28-52(74)95)58(100)77-41(10)57(99)87-70(14,15)66(108)85-51(35-93)62(104)89-69(12,13)64(106)78-39(8)56(98)83-49(31-37(4)5)61(103)88-71(16,17)65(107)84-48(27-29-53(75)96)59(101)81-44(34-92)30-36(2)3/h22-25,33,36-41,44,47-51,54,76,92-93H,21,26-32,34-35H2,1-20H3,(H2,74,95)(H2,75,96)(H,77,100)(H,78,106)(H,79,110)(H,80,94)(H,81,101)(H,82,97)(H,83,98)(H,84,107)(H,85,108)(H,86,102)(H,87,99)(H,88,103)(H,89,104)(H,90,105)(H,91,109)/t39-,40-,41-,44-,47-,48-,49-,50-,51-,54-,73+/m0/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | ZXSAQOASWXTEMJ-SYWGTLAGSA-N | ||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | |||||||||||||||||||||||||||||||||||||||||||||||||
| |||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Shift Submissions | |||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||
| Species | |||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
| ||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Taxonomy | |||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. | ||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic Polymers | ||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Polypeptides | ||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Polypeptides | ||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
| ||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
| ||||||||||||||||||||||||||||||||||||||||||||||||
| Molecular Framework | Aromatic heteropolycyclic compounds | ||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | |||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Properties |
| ||||||||||||||||||||||||||||||||||||||||||||||||
| External Links | |||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA007116 | ||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 8255784 | ||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 10080246 | ||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
| ||||||||||||||||||||||||||||||||||||||||||||||||
