Showing NP-Card for Actinomycin Zp (NP0015824)
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| Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 00:59:02 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:21:03 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0015824 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Actinomycin Zp | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Actinomycin Zp is found in Streptomyces. It was first documented in 2016 (PMID: 27736087). Based on a literature review very few articles have been published on Actinomycin Zp. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0015824 (Actinomycin Zp)
Mrv1652307042107123D
182188 0 0 0 0 999 V2000
-0.6842 -0.1594 8.7618 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9782 0.0261 7.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3596 -0.8046 6.4038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4694 -1.7057 6.8485 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0700 -2.4876 5.9719 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9507 -3.4706 6.4128 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1874 -3.6059 7.8893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5952 -4.3111 5.5384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3635 -4.1714 4.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5092 -3.2127 3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4358 -2.8100 2.3086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 -3.1700 1.5882 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5233 -1.9949 1.9142 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7462 -1.3470 0.6341 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1721 -0.9826 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5160 -0.1921 1.4523 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1421 -1.3018 -0.4446 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2712 -2.3503 -1.4257 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9042 -3.5917 -0.8263 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2476 -3.2347 -0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0271 -4.1744 0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7554 -1.9627 -2.7387 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8266 -1.7207 -3.6177 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1056 -1.8172 -3.1827 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7062 -2.6235 -4.2623 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8274 -2.7385 -5.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0604 -2.0571 -4.5071 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4059 -1.5538 -3.1395 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0868 -0.9025 -2.7317 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1114 0.4599 -3.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8931 0.6710 -4.2685 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4233 1.6184 -2.8607 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1389 2.8810 -2.6068 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9664 1.7379 -2.6697 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6499 2.1927 -1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5761 1.9541 -0.4415 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5139 2.8335 -0.8201 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7583 3.7538 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1565 2.7703 -1.2342 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8478 3.4945 -2.5318 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3545 3.3584 -2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1528 4.9654 -2.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5943 1.3803 -1.2743 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 0.8141 -2.4142 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9366 0.7408 -0.3581 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8872 -0.0557 0.7190 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9977 0.6007 2.0657 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8307 -2.3488 4.6217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0229 -1.4384 4.1239 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6729 -0.6199 4.9674 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5523 0.3360 4.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0287 0.4495 3.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8991 1.3622 2.9560 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6954 -0.3166 2.0680 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2585 -0.2005 0.7259 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5671 1.1539 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8875 2.1107 0.7822 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5296 1.5373 -0.7055 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6678 1.0295 -2.0654 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3596 1.0996 -2.8176 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5808 0.5025 -4.2016 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9231 2.5505 -3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6299 1.8627 -2.8388 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6237 3.0976 -2.4421 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4899 1.4791 -3.8868 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7189 2.1229 -5.1944 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8542 3.2699 -5.5133 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5676 0.9515 -6.1337 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.1817 -0.1821 -5.3518 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4162 0.3892 -3.9431 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3560 -0.6432 -2.9298 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7094 -1.6955 -3.1640 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9908 -0.5504 -1.6658 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.4920 -1.7650 -0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1900 0.6998 -0.9820 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.1763 0.6041 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3904 0.7845 -0.1787 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8663 0.3218 1.4687 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.9356 -0.1981 2.2899 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5574 0.5350 2.0432 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5813 1.0759 3.4389 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3348 2.3995 3.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0106 0.1626 4.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7231 -0.7300 1.9499 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4027 -1.7599 2.2944 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4859 -0.6661 1.5602 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4765 -1.1265 0.7882 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9501 -2.5270 1.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1337 1.1465 5.5196 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0299 2.1664 5.1484 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8347 0.9664 6.8423 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3915 1.7205 7.6901 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0892 0.5210 9.1205 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 0.0195 9.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4305 -1.2037 8.9692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6256 -4.4934 8.2850 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2607 -3.6542 8.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7711 -2.7240 8.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2755 -5.0663 5.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8618 -4.8234 3.5011 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2848 -1.8476 2.6726 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2878 -1.9731 -0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0105 -0.6642 -0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1862 -2.7076 -1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0248 -4.3935 -1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0661 -3.3323 -1.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2737 -2.1584 0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5012 -3.8448 0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1449 -5.3030 0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3998 -3.8300 1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9829 -3.8849 0.1861 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9092 -3.6919 -3.9442 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5538 -1.7680 -5.8703 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4055 -3.3127 -6.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9327 -3.3787 -5.2341 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8219 -2.8550 -4.7355 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0800 -1.2714 -5.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1815 -0.7485 -3.1666 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7012 -2.3648 -2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1871 -0.8879 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6758 2.8064 -1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4527 3.7543 -2.5986 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8800 3.1028 -3.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6385 2.6077 -3.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4261 0.8781 -3.0349 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8773 4.3838 0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6073 4.4148 0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0008 3.0795 1.1673 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4879 3.2876 -0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4371 3.0683 -3.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0262 2.3205 -2.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2609 3.4885 -3.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8307 4.1447 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9434 5.3970 -1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2085 5.2131 -2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4731 5.5280 -3.1286 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8365 -0.5133 0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9792 0.9453 2.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3957 -0.0160 2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5432 1.5805 1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9778 -1.0628 2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4683 -0.5774 0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2205 2.2704 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9769 0.0053 -2.0484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5262 0.6138 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7991 -0.2793 -4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4787 1.2249 -5.0112 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5425 -0.0407 -4.2441 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6675 3.1185 -3.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0750 2.4097 -3.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4909 3.0233 -2.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7945 2.4200 -5.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3750 3.9063 -6.2705 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8338 2.9950 -5.8847 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6941 3.9449 -4.6435 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4713 0.8053 -6.3028 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0918 1.1340 -7.1006 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1472 -0.5173 -5.7952 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4550 -1.0076 -5.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4382 0.8626 -4.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8640 -1.5748 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7517 -2.5658 -1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3971 -2.0764 -1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5705 1.4412 -1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2851 1.1431 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7908 -1.2743 2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0756 0.3841 3.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9324 -0.1121 1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0734 1.3438 1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5041 1.3987 3.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6909 3.2767 3.5896 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8201 2.5752 2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0884 2.4132 4.2198 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3016 -0.8564 4.2173 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7688 0.6501 5.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1447 -0.0183 5.2347 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8088 -1.2994 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9753 -2.6726 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8352 -2.5285 2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6820 -3.3044 0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6366 2.9813 4.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0454 2.1700 5.3552 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 0 0 0 0
39 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
10 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
56 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
60 62 1 0 0 0 0
59 63 1 0 0 0 0
63 64 2 0 0 0 0
63 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
66 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
71 72 2 0 0 0 0
71 73 1 0 0 0 0
73 74 1 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 2 0 0 0 0
76 78 1 0 0 0 0
78 79 1 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
81 83 1 0 0 0 0
80 84 1 0 0 0 0
84 85 2 0 0 0 0
84 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
51 89 2 0 0 0 0
89 90 1 0 0 0 0
89 91 1 0 0 0 0
91 92 2 0 0 0 0
91 2 1 0 0 0 0
50 3 1 0 0 0 0
87 55 1 0 0 0 0
48 5 1 0 0 0 0
70 65 1 0 0 0 0
46 14 1 0 0 0 0
29 24 1 0 0 0 0
1 93 1 0 0 0 0
1 94 1 0 0 0 0
1 95 1 0 0 0 0
7 96 1 0 0 0 0
7 97 1 0 0 0 0
7 98 1 0 0 0 0
8 99 1 0 0 0 0
9100 1 0 0 0 0
13101 1 0 0 0 0
14102 1 6 0 0 0
17103 1 0 0 0 0
18104 1 6 0 0 0
19105 1 6 0 0 0
20106 1 0 0 0 0
20107 1 0 0 0 0
20108 1 0 0 0 0
21109 1 0 0 0 0
21110 1 0 0 0 0
21111 1 0 0 0 0
25112 1 1 0 0 0
26113 1 0 0 0 0
26114 1 0 0 0 0
26115 1 0 0 0 0
27116 1 0 0 0 0
27117 1 0 0 0 0
28118 1 0 0 0 0
28119 1 0 0 0 0
29120 1 1 0 0 0
33121 1 0 0 0 0
33122 1 0 0 0 0
33123 1 0 0 0 0
34124 1 0 0 0 0
34125 1 0 0 0 0
38126 1 0 0 0 0
38127 1 0 0 0 0
38128 1 0 0 0 0
39129 1 1 0 0 0
40130 1 6 0 0 0
41131 1 0 0 0 0
41132 1 0 0 0 0
41133 1 0 0 0 0
42134 1 0 0 0 0
42135 1 0 0 0 0
42136 1 0 0 0 0
46137 1 1 0 0 0
47138 1 0 0 0 0
47139 1 0 0 0 0
47140 1 0 0 0 0
54141 1 0 0 0 0
55142 1 6 0 0 0
58143 1 0 0 0 0
59144 1 1 0 0 0
60145 1 1 0 0 0
61146 1 0 0 0 0
61147 1 0 0 0 0
61148 1 0 0 0 0
62149 1 0 0 0 0
62150 1 0 0 0 0
62151 1 0 0 0 0
66152 1 1 0 0 0
67153 1 0 0 0 0
67154 1 0 0 0 0
67155 1 0 0 0 0
68156 1 0 0 0 0
68157 1 0 0 0 0
69158 1 0 0 0 0
69159 1 0 0 0 0
70160 1 6 0 0 0
74161 1 0 0 0 0
74162 1 0 0 0 0
74163 1 0 0 0 0
75164 1 0 0 0 0
75165 1 0 0 0 0
79166 1 0 0 0 0
79167 1 0 0 0 0
79168 1 0 0 0 0
80169 1 6 0 0 0
81170 1 1 0 0 0
82171 1 0 0 0 0
82172 1 0 0 0 0
82173 1 0 0 0 0
83174 1 0 0 0 0
83175 1 0 0 0 0
83176 1 0 0 0 0
87177 1 6 0 0 0
88178 1 0 0 0 0
88179 1 0 0 0 0
88180 1 0 0 0 0
90181 1 0 0 0 0
90182 1 0 0 0 0
M END
3D MOL for NP0015824 (Actinomycin Zp)
RDKit 3D
182188 0 0 0 0 0 0 0 0999 V2000
-0.6842 -0.1594 8.7618 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9782 0.0261 7.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3596 -0.8046 6.4038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4694 -1.7057 6.8485 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0700 -2.4876 5.9719 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9507 -3.4706 6.4128 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1874 -3.6059 7.8893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5952 -4.3111 5.5384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3635 -4.1714 4.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5092 -3.2127 3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4358 -2.8100 2.3086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 -3.1700 1.5882 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5233 -1.9949 1.9142 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7462 -1.3470 0.6341 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1721 -0.9826 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5160 -0.1921 1.4523 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1421 -1.3018 -0.4446 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2712 -2.3503 -1.4257 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9042 -3.5917 -0.8263 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2476 -3.2347 -0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0271 -4.1744 0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7554 -1.9627 -2.7387 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8266 -1.7207 -3.6177 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1056 -1.8172 -3.1827 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7062 -2.6235 -4.2623 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8274 -2.7385 -5.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0604 -2.0571 -4.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4059 -1.5538 -3.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0868 -0.9025 -2.7317 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1114 0.4599 -3.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8931 0.6710 -4.2685 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4233 1.6184 -2.8607 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1389 2.8810 -2.6068 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9664 1.7379 -2.6697 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6499 2.1927 -1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5761 1.9541 -0.4415 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5139 2.8335 -0.8201 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7583 3.7538 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1565 2.7703 -1.2342 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8478 3.4945 -2.5318 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3545 3.3584 -2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1528 4.9654 -2.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5943 1.3803 -1.2743 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 0.8141 -2.4142 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9366 0.7408 -0.3581 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8872 -0.0557 0.7190 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9977 0.6007 2.0657 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8307 -2.3488 4.6217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0229 -1.4384 4.1239 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6729 -0.6199 4.9674 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5523 0.3360 4.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0287 0.4495 3.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8991 1.3622 2.9560 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6954 -0.3166 2.0680 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2585 -0.2005 0.7259 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5671 1.1539 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8875 2.1107 0.7822 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5296 1.5373 -0.7055 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6678 1.0295 -2.0654 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3596 1.0996 -2.8176 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5808 0.5025 -4.2016 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9231 2.5505 -3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6299 1.8627 -2.8388 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6237 3.0976 -2.4421 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4899 1.4791 -3.8868 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7189 2.1229 -5.1944 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8542 3.2699 -5.5133 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5676 0.9515 -6.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1817 -0.1821 -5.3518 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4162 0.3892 -3.9431 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3560 -0.6432 -2.9298 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7094 -1.6955 -3.1640 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9908 -0.5504 -1.6658 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.4920 -1.7650 -0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1900 0.6998 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1763 0.6041 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3904 0.7845 -0.1787 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8663 0.3218 1.4687 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.9356 -0.1981 2.2899 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5574 0.5350 2.0432 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5813 1.0759 3.4389 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3348 2.3995 3.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0106 0.1626 4.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7231 -0.7300 1.9499 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4027 -1.7599 2.2944 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4859 -0.6661 1.5602 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4765 -1.1265 0.7882 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9501 -2.5270 1.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1337 1.1465 5.5196 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0299 2.1664 5.1484 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8347 0.9664 6.8423 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3915 1.7205 7.6901 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0892 0.5210 9.1205 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 0.0195 9.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4305 -1.2037 8.9692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6256 -4.4934 8.2850 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2607 -3.6542 8.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7711 -2.7240 8.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2755 -5.0663 5.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8618 -4.8234 3.5011 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2848 -1.8476 2.6726 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2878 -1.9731 -0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0105 -0.6642 -0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1862 -2.7076 -1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0248 -4.3935 -1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0661 -3.3323 -1.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2737 -2.1584 0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5012 -3.8448 0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1449 -5.3030 0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3998 -3.8300 1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9829 -3.8849 0.1861 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9092 -3.6919 -3.9442 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5538 -1.7680 -5.8703 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4055 -3.3127 -6.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9327 -3.3787 -5.2341 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8219 -2.8550 -4.7355 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0800 -1.2714 -5.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1815 -0.7485 -3.1666 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7012 -2.3648 -2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1871 -0.8879 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6758 2.8064 -1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4527 3.7543 -2.5986 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8800 3.1028 -3.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6385 2.6077 -3.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4261 0.8781 -3.0349 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8773 4.3838 0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6073 4.4148 0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0008 3.0795 1.1673 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4879 3.2876 -0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4371 3.0683 -3.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0262 2.3205 -2.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2609 3.4885 -3.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8307 4.1447 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9434 5.3970 -1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2085 5.2131 -2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4731 5.5280 -3.1286 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8365 -0.5133 0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9792 0.9453 2.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3957 -0.0160 2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5432 1.5805 1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9778 -1.0628 2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4683 -0.5774 0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2205 2.2704 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9769 0.0053 -2.0484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5262 0.6138 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7991 -0.2793 -4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4787 1.2249 -5.0112 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5425 -0.0407 -4.2441 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6675 3.1185 -3.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0750 2.4097 -3.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4909 3.0233 -2.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7945 2.4200 -5.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3750 3.9063 -6.2705 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8338 2.9950 -5.8847 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6941 3.9449 -4.6435 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4713 0.8053 -6.3028 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0918 1.1340 -7.1006 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1472 -0.5173 -5.7952 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4550 -1.0076 -5.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4382 0.8626 -4.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8640 -1.5748 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7517 -2.5658 -1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3971 -2.0764 -1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5705 1.4412 -1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2851 1.1431 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7908 -1.2743 2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0756 0.3841 3.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9324 -0.1121 1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0734 1.3438 1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5041 1.3987 3.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6909 3.2767 3.5896 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8201 2.5752 2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0884 2.4132 4.2198 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3016 -0.8564 4.2173 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7688 0.6501 5.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1447 -0.0183 5.2347 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8088 -1.2994 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9753 -2.6726 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8352 -2.5285 2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6820 -3.3044 0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6366 2.9813 4.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0454 2.1700 5.3552 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 1 0
5 6 2 0
6 7 1 0
6 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 2 0
15 17 1 0
17 18 1 0
18 19 1 0
19 20 1 0
19 21 1 0
18 22 1 0
22 23 2 0
22 24 1 0
24 25 1 0
25 26 1 0
25 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
30 31 2 0
30 32 1 0
32 33 1 0
32 34 1 0
34 35 1 0
35 36 2 0
35 37 1 0
37 38 1 0
37 39 1 0
39 40 1 0
40 41 1 0
40 42 1 0
39 43 1 0
43 44 2 0
43 45 1 0
45 46 1 0
46 47 1 0
10 48 2 0
48 49 1 0
49 50 2 0
50 51 1 0
51 52 1 0
52 53 2 0
52 54 1 0
54 55 1 0
55 56 1 0
56 57 2 0
56 58 1 0
58 59 1 0
59 60 1 0
60 61 1 0
60 62 1 0
59 63 1 0
63 64 2 0
63 65 1 0
65 66 1 0
66 67 1 0
66 68 1 0
68 69 1 0
69 70 1 0
70 71 1 0
71 72 2 0
71 73 1 0
73 74 1 0
73 75 1 0
75 76 1 0
76 77 2 0
76 78 1 0
78 79 1 0
78 80 1 0
80 81 1 0
81 82 1 0
81 83 1 0
80 84 1 0
84 85 2 0
84 86 1 0
86 87 1 0
87 88 1 0
51 89 2 0
89 90 1 0
89 91 1 0
91 92 2 0
91 2 1 0
50 3 1 0
87 55 1 0
48 5 1 0
70 65 1 0
46 14 1 0
29 24 1 0
1 93 1 0
1 94 1 0
1 95 1 0
7 96 1 0
7 97 1 0
7 98 1 0
8 99 1 0
9100 1 0
13101 1 0
14102 1 6
17103 1 0
18104 1 6
19105 1 6
20106 1 0
20107 1 0
20108 1 0
21109 1 0
21110 1 0
21111 1 0
25112 1 1
26113 1 0
26114 1 0
26115 1 0
27116 1 0
27117 1 0
28118 1 0
28119 1 0
29120 1 1
33121 1 0
33122 1 0
33123 1 0
34124 1 0
34125 1 0
38126 1 0
38127 1 0
38128 1 0
39129 1 1
40130 1 6
41131 1 0
41132 1 0
41133 1 0
42134 1 0
42135 1 0
42136 1 0
46137 1 1
47138 1 0
47139 1 0
47140 1 0
54141 1 0
55142 1 6
58143 1 0
59144 1 1
60145 1 1
61146 1 0
61147 1 0
61148 1 0
62149 1 0
62150 1 0
62151 1 0
66152 1 1
67153 1 0
67154 1 0
67155 1 0
68156 1 0
68157 1 0
69158 1 0
69159 1 0
70160 1 6
74161 1 0
74162 1 0
74163 1 0
75164 1 0
75165 1 0
79166 1 0
79167 1 0
79168 1 0
80169 1 6
81170 1 1
82171 1 0
82172 1 0
82173 1 0
83174 1 0
83175 1 0
83176 1 0
87177 1 6
88178 1 0
88179 1 0
88180 1 0
90181 1 0
90182 1 0
M END
3D SDF for NP0015824 (Actinomycin Zp)
Mrv1652307042107123D
182188 0 0 0 0 999 V2000
-0.6842 -0.1594 8.7618 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9782 0.0261 7.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3596 -0.8046 6.4038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4694 -1.7057 6.8485 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0700 -2.4876 5.9719 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9507 -3.4706 6.4128 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1874 -3.6059 7.8893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5952 -4.3111 5.5384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3635 -4.1714 4.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5092 -3.2127 3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4358 -2.8100 2.3086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 -3.1700 1.5882 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5233 -1.9949 1.9142 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7462 -1.3470 0.6341 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1721 -0.9826 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5160 -0.1921 1.4523 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1421 -1.3018 -0.4446 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2712 -2.3503 -1.4257 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9042 -3.5917 -0.8263 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2476 -3.2347 -0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0271 -4.1744 0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7554 -1.9627 -2.7387 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8266 -1.7207 -3.6177 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1056 -1.8172 -3.1827 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7062 -2.6235 -4.2623 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8274 -2.7385 -5.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0604 -2.0571 -4.5071 C 0 0 1 0 0 0 0 0 0 0 0 0
9.4059 -1.5538 -3.1395 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0868 -0.9025 -2.7317 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1114 0.4599 -3.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8931 0.6710 -4.2685 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4233 1.6184 -2.8607 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1389 2.8810 -2.6068 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9664 1.7379 -2.6697 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6499 2.1927 -1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5761 1.9541 -0.4415 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5139 2.8335 -0.8201 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7583 3.7538 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1565 2.7703 -1.2342 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8478 3.4945 -2.5318 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3545 3.3584 -2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1528 4.9654 -2.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5943 1.3803 -1.2743 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 0.8141 -2.4142 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9366 0.7408 -0.3581 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8872 -0.0557 0.7190 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9977 0.6007 2.0657 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8307 -2.3488 4.6217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0229 -1.4384 4.1239 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6729 -0.6199 4.9674 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5523 0.3360 4.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0287 0.4495 3.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8991 1.3622 2.9560 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6954 -0.3166 2.0680 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2585 -0.2005 0.7259 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5671 1.1539 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8875 2.1107 0.7822 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5296 1.5373 -0.7055 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6678 1.0295 -2.0654 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3596 1.0996 -2.8176 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5808 0.5025 -4.2016 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9231 2.5505 -3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6299 1.8627 -2.8388 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6237 3.0976 -2.4421 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4899 1.4791 -3.8868 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7189 2.1229 -5.1944 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8542 3.2699 -5.5133 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5676 0.9515 -6.1337 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.1817 -0.1821 -5.3518 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4162 0.3892 -3.9431 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3560 -0.6432 -2.9298 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7094 -1.6955 -3.1640 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9908 -0.5504 -1.6658 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.4920 -1.7650 -0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1900 0.6998 -0.9820 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.1763 0.6041 0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3904 0.7845 -0.1787 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8663 0.3218 1.4687 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.9356 -0.1981 2.2899 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5574 0.5350 2.0432 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.5813 1.0759 3.4389 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.3348 2.3995 3.3859 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.0106 0.1626 4.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7231 -0.7300 1.9499 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4027 -1.7599 2.2944 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4859 -0.6661 1.5602 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4765 -1.1265 0.7882 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9501 -2.5270 1.2039 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1337 1.1465 5.5196 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0299 2.1664 5.1484 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8347 0.9664 6.8423 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3915 1.7205 7.6901 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0892 0.5210 9.1205 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6847 0.0195 9.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4305 -1.2037 8.9692 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6256 -4.4934 8.2850 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2607 -3.6542 8.0805 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7711 -2.7240 8.4153 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2755 -5.0663 5.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8618 -4.8234 3.5011 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2848 -1.8476 2.6726 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2878 -1.9731 -0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0105 -0.6642 -0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1862 -2.7076 -1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0248 -4.3935 -1.5821 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0661 -3.3323 -1.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2737 -2.1584 0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5012 -3.8448 0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1449 -5.3030 0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3998 -3.8300 1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9829 -3.8849 0.1861 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9092 -3.6919 -3.9442 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5538 -1.7680 -5.8703 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4055 -3.3127 -6.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9327 -3.3787 -5.2341 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8219 -2.8550 -4.7355 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0800 -1.2714 -5.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1815 -0.7485 -3.1666 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7012 -2.3648 -2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1871 -0.8879 -1.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6758 2.8064 -1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4527 3.7543 -2.5986 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8800 3.1028 -3.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6385 2.6077 -3.3351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4261 0.8781 -3.0349 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8773 4.3838 0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6073 4.4148 0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0008 3.0795 1.1673 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4879 3.2876 -0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4371 3.0683 -3.3667 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0262 2.3205 -2.6064 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2609 3.4885 -3.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8307 4.1447 -2.3110 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9434 5.3970 -1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2085 5.2131 -2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4731 5.5280 -3.1286 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8365 -0.5133 0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9792 0.9453 2.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3957 -0.0160 2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5432 1.5805 1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9778 -1.0628 2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4683 -0.5774 0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2205 2.2704 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9769 0.0053 -2.0484 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5262 0.6138 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7991 -0.2793 -4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4787 1.2249 -5.0112 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5425 -0.0407 -4.2441 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6675 3.1185 -3.6546 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0750 2.4097 -3.8295 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4909 3.0233 -2.2109 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7945 2.4200 -5.2618 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3750 3.9063 -6.2705 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8338 2.9950 -5.8847 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6941 3.9449 -4.6435 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4713 0.8053 -6.3028 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0918 1.1340 -7.1006 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1472 -0.5173 -5.7952 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4550 -1.0076 -5.2293 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4382 0.8626 -4.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8640 -1.5748 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7517 -2.5658 -1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.3971 -2.0764 -1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5705 1.4412 -1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2851 1.1431 -0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7908 -1.2743 2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0756 0.3841 3.2217 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9324 -0.1121 1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0734 1.3438 1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5041 1.3987 3.6346 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6909 3.2767 3.5896 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8201 2.5752 2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0884 2.4132 4.2198 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3016 -0.8564 4.2173 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7688 0.6501 5.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1447 -0.0183 5.2347 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8088 -1.2994 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9753 -2.6726 0.7242 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8352 -2.5285 2.2872 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6820 -3.3044 0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6366 2.9813 4.6305 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0454 2.1700 5.3552 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
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8 9 2 0 0 0 0
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10 11 1 0 0 0 0
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13 14 1 0 0 0 0
14 15 1 0 0 0 0
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17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
18 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
32 33 1 0 0 0 0
32 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 0 0 0 0
39 43 1 0 0 0 0
43 44 2 0 0 0 0
43 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
10 48 2 0 0 0 0
48 49 1 0 0 0 0
49 50 2 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
52 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 2 0 0 0 0
56 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
60 62 1 0 0 0 0
59 63 1 0 0 0 0
63 64 2 0 0 0 0
63 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
66 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 1 0 0 0 0
71 72 2 0 0 0 0
71 73 1 0 0 0 0
73 74 1 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 2 0 0 0 0
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78 79 1 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
81 83 1 0 0 0 0
80 84 1 0 0 0 0
84 85 2 0 0 0 0
84 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
51 89 2 0 0 0 0
89 90 1 0 0 0 0
89 91 1 0 0 0 0
91 92 2 0 0 0 0
91 2 1 0 0 0 0
50 3 1 0 0 0 0
87 55 1 0 0 0 0
48 5 1 0 0 0 0
70 65 1 0 0 0 0
46 14 1 0 0 0 0
29 24 1 0 0 0 0
1 93 1 0 0 0 0
1 94 1 0 0 0 0
1 95 1 0 0 0 0
7 96 1 0 0 0 0
7 97 1 0 0 0 0
7 98 1 0 0 0 0
8 99 1 0 0 0 0
9100 1 0 0 0 0
13101 1 0 0 0 0
14102 1 6 0 0 0
17103 1 0 0 0 0
18104 1 6 0 0 0
19105 1 6 0 0 0
20106 1 0 0 0 0
20107 1 0 0 0 0
20108 1 0 0 0 0
21109 1 0 0 0 0
21110 1 0 0 0 0
21111 1 0 0 0 0
25112 1 1 0 0 0
26113 1 0 0 0 0
26114 1 0 0 0 0
26115 1 0 0 0 0
27116 1 0 0 0 0
27117 1 0 0 0 0
28118 1 0 0 0 0
28119 1 0 0 0 0
29120 1 1 0 0 0
33121 1 0 0 0 0
33122 1 0 0 0 0
33123 1 0 0 0 0
34124 1 0 0 0 0
34125 1 0 0 0 0
38126 1 0 0 0 0
38127 1 0 0 0 0
38128 1 0 0 0 0
39129 1 1 0 0 0
40130 1 6 0 0 0
41131 1 0 0 0 0
41132 1 0 0 0 0
41133 1 0 0 0 0
42134 1 0 0 0 0
42135 1 0 0 0 0
42136 1 0 0 0 0
46137 1 1 0 0 0
47138 1 0 0 0 0
47139 1 0 0 0 0
47140 1 0 0 0 0
54141 1 0 0 0 0
55142 1 6 0 0 0
58143 1 0 0 0 0
59144 1 1 0 0 0
60145 1 1 0 0 0
61146 1 0 0 0 0
61147 1 0 0 0 0
61148 1 0 0 0 0
62149 1 0 0 0 0
62150 1 0 0 0 0
62151 1 0 0 0 0
66152 1 1 0 0 0
67153 1 0 0 0 0
67154 1 0 0 0 0
67155 1 0 0 0 0
68156 1 0 0 0 0
68157 1 0 0 0 0
69158 1 0 0 0 0
69159 1 0 0 0 0
70160 1 6 0 0 0
74161 1 0 0 0 0
74162 1 0 0 0 0
74163 1 0 0 0 0
75164 1 0 0 0 0
75165 1 0 0 0 0
79166 1 0 0 0 0
79167 1 0 0 0 0
79168 1 0 0 0 0
80169 1 6 0 0 0
81170 1 1 0 0 0
82171 1 0 0 0 0
82172 1 0 0 0 0
82173 1 0 0 0 0
83174 1 0 0 0 0
83175 1 0 0 0 0
83176 1 0 0 0 0
87177 1 6 0 0 0
88178 1 0 0 0 0
88179 1 0 0 0 0
88180 1 0 0 0 0
90181 1 0 0 0 0
90182 1 0 0 0 0
M END
> <DATABASE_ID>
NP0015824
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]N([H])C1=C(C(=O)N([H])[C@]2([H])C(=O)N([H])[C@@]([H])(C(=O)N3[C@]([H])(C(=O)N(C([H])([H])[H])C([H])([H])C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)O[C@]2([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C2=NC3=C(C([H])=C([H])C(=C3OC2=C(C1=O)C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@]1([H])C(=O)N([H])[C@@]([H])(C(=O)N2[C@]([H])(C(=O)N(C([H])([H])[H])C([H])([H])C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)O[C@]1([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C64H90N12O16/c1-27(2)44-61(86)75-32(10)20-23-38(75)59(84)71(15)25-40(77)73(17)50(29(5)6)63(88)90-35(13)46(57(82)67-44)69-55(80)37-22-19-31(9)53-48(37)66-49-42(43(65)52(79)34(12)54(49)92-53)56(81)70-47-36(14)91-64(89)51(30(7)8)74(18)41(78)26-72(16)60(85)39-24-21-33(11)76(39)62(87)45(28(3)4)68-58(47)83/h19,22,27-30,32-33,35-36,38-39,44-47,50-51H,20-21,23-26,65H2,1-18H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)/t32-,33-,35+,36+,38-,39-,44+,45+,46-,47-,50-,51-/m0/s1
> <INCHI_KEY>
ITWSHIDIEVXQRA-BSBLWUGNSA-N
> <FORMULA>
C64H90N12O16
> <MOLECULAR_WEIGHT>
1283.492
> <EXACT_MASS>
1282.659774866
> <JCHEM_ACCEPTOR_COUNT>
16
> <JCHEM_ATOM_COUNT>
182
> <JCHEM_AVERAGE_POLARIZABILITY>
135.14145443354658
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
5
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
N1,N9-bis[(6S,9R,10S,13R,16S,18aS)-2,5,9,16-tetramethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide
> <ALOGPS_LOGP>
3.14
> <JCHEM_LOGP>
0.7362675959999997
> <ALOGPS_LOGS>
-4.98
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
7
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.125862657951162
> <JCHEM_PKA_STRONGEST_ACIDIC>
10.544387803803314
> <JCHEM_PKA_STRONGEST_BASIC>
-1.0881531733630574
> <JCHEM_POLAR_SURFACE_AREA>
355.53999999999996
> <JCHEM_REFRACTIVITY>
335.00920000000013
> <JCHEM_ROTATABLE_BOND_COUNT>
8
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.36e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
N1,N9-bis[(6S,9R,10S,13R,16S,18aS)-6,13-diisopropyl-2,5,9,16-tetramethyl-1,4,7,11,14-pentaoxo-decahydropyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0015824 (Actinomycin Zp)
RDKit 3D
182188 0 0 0 0 0 0 0 0999 V2000
-0.6842 -0.1594 8.7618 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9782 0.0261 7.2953 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3596 -0.8046 6.4038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4694 -1.7057 6.8485 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0700 -2.4876 5.9719 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9507 -3.4706 6.4128 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1874 -3.6059 7.8893 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5952 -4.3111 5.5384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3635 -4.1714 4.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5092 -3.2127 3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4358 -2.8100 2.3086 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5126 -3.1700 1.5882 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5233 -1.9949 1.9142 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7462 -1.3470 0.6341 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1721 -0.9826 0.4768 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5160 -0.1921 1.4523 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1421 -1.3018 -0.4446 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2712 -2.3503 -1.4257 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9042 -3.5917 -0.8263 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2476 -3.2347 -0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0271 -4.1744 0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7554 -1.9627 -2.7387 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8266 -1.7207 -3.6177 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1056 -1.8172 -3.1827 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7062 -2.6235 -4.2623 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8274 -2.7385 -5.4613 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0604 -2.0571 -4.5071 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4059 -1.5538 -3.1395 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0868 -0.9025 -2.7317 C 0 0 1 0 0 0 0 0 0 0 0 0
8.1114 0.4599 -3.2592 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8931 0.6710 -4.2685 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4233 1.6184 -2.8607 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1389 2.8810 -2.6068 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9664 1.7379 -2.6697 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6499 2.1927 -1.3037 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5761 1.9541 -0.4415 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5139 2.8335 -0.8201 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7583 3.7538 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1565 2.7703 -1.2342 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8478 3.4945 -2.5318 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3545 3.3584 -2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1528 4.9654 -2.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5943 1.3803 -1.2743 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 0.8141 -2.4142 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9366 0.7408 -0.3581 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8872 -0.0557 0.7190 C 0 0 2 0 0 0 0 0 0 0 0 0
1.9977 0.6007 2.0657 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8307 -2.3488 4.6217 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0229 -1.4384 4.1239 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6729 -0.6199 4.9674 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5523 0.3360 4.5210 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0287 0.4495 3.1805 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8991 1.3622 2.9560 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6954 -0.3166 2.0680 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2585 -0.2005 0.7259 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.5671 1.1539 0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8875 2.1107 0.7822 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5296 1.5373 -0.7055 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6678 1.0295 -2.0654 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3596 1.0996 -2.8176 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5808 0.5025 -4.2016 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9231 2.5505 -3.0800 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6299 1.8627 -2.8388 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6237 3.0976 -2.4421 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4899 1.4791 -3.8868 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7189 2.1229 -5.1944 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8542 3.2699 -5.5133 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5676 0.9515 -6.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0015824 (Actinomycin Zp)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -0.684 -0.159 8.762 0.00 0.00 C+0 HETATM 2 C UNK 0 -0.978 0.026 7.295 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.360 -0.805 6.404 0.00 0.00 C+0 HETATM 4 O UNK 0 0.469 -1.706 6.848 0.00 0.00 O+0 HETATM 5 C UNK 0 1.070 -2.488 5.972 0.00 0.00 C+0 HETATM 6 C UNK 0 1.951 -3.471 6.413 0.00 0.00 C+0 HETATM 7 C UNK 0 2.187 -3.606 7.889 0.00 0.00 C+0 HETATM 8 C UNK 0 2.595 -4.311 5.538 0.00 0.00 C+0 HETATM 9 C UNK 0 2.364 -4.171 4.173 0.00 0.00 C+0 HETATM 10 C UNK 0 1.509 -3.213 3.754 0.00 0.00 C+0 HETATM 11 C UNK 0 1.436 -2.810 2.309 0.00 0.00 C+0 HETATM 12 O UNK 0 0.513 -3.170 1.588 0.00 0.00 O+0 HETATM 13 N UNK 0 2.523 -1.995 1.914 0.00 0.00 N+0 HETATM 14 C UNK 0 2.746 -1.347 0.634 0.00 0.00 C+0 HETATM 15 C UNK 0 4.172 -0.983 0.477 0.00 0.00 C+0 HETATM 16 O UNK 0 4.516 -0.192 1.452 0.00 0.00 O+0 HETATM 17 N UNK 0 5.142 -1.302 -0.445 0.00 0.00 N+0 HETATM 18 C UNK 0 5.271 -2.350 -1.426 0.00 0.00 C+0 HETATM 19 C UNK 0 5.904 -3.592 -0.826 0.00 0.00 C+0 HETATM 20 C UNK 0 7.248 -3.235 -0.273 0.00 0.00 C+0 HETATM 21 C UNK 0 5.027 -4.174 0.249 0.00 0.00 C+0 HETATM 22 C UNK 0 5.755 -1.963 -2.739 0.00 0.00 C+0 HETATM 23 O UNK 0 4.827 -1.721 -3.618 0.00 0.00 O+0 HETATM 24 N UNK 0 7.106 -1.817 -3.183 0.00 0.00 N+0 HETATM 25 C UNK 0 7.706 -2.624 -4.262 0.00 0.00 C+0 HETATM 26 C UNK 0 6.827 -2.739 -5.461 0.00 0.00 C+0 HETATM 27 C UNK 0 9.060 -2.057 -4.507 0.00 0.00 C+0 HETATM 28 C UNK 0 9.406 -1.554 -3.139 0.00 0.00 C+0 HETATM 29 C UNK 0 8.087 -0.903 -2.732 0.00 0.00 C+0 HETATM 30 C UNK 0 8.111 0.460 -3.259 0.00 0.00 C+0 HETATM 31 O UNK 0 8.893 0.671 -4.269 0.00 0.00 O+0 HETATM 32 N UNK 0 7.423 1.618 -2.861 0.00 0.00 N+0 HETATM 33 C UNK 0 8.139 2.881 -2.607 0.00 0.00 C+0 HETATM 34 C UNK 0 5.966 1.738 -2.670 0.00 0.00 C+0 HETATM 35 C UNK 0 5.650 2.193 -1.304 0.00 0.00 C+0 HETATM 36 O UNK 0 6.576 1.954 -0.442 0.00 0.00 O+0 HETATM 37 N UNK 0 4.514 2.833 -0.820 0.00 0.00 N+0 HETATM 38 C UNK 0 4.758 3.754 0.341 0.00 0.00 C+0 HETATM 39 C UNK 0 3.156 2.770 -1.234 0.00 0.00 C+0 HETATM 40 C UNK 0 2.848 3.494 -2.532 0.00 0.00 C+0 HETATM 41 C UNK 0 1.355 3.358 -2.842 0.00 0.00 C+0 HETATM 42 C UNK 0 3.153 4.965 -2.453 0.00 0.00 C+0 HETATM 43 C UNK 0 2.594 1.380 -1.274 0.00 0.00 C+0 HETATM 44 O UNK 0 2.842 0.814 -2.414 0.00 0.00 O+0 HETATM 45 O UNK 0 1.937 0.741 -0.358 0.00 0.00 O+0 HETATM 46 C UNK 0 1.887 -0.056 0.719 0.00 0.00 C+0 HETATM 47 C UNK 0 1.998 0.601 2.066 0.00 0.00 C+0 HETATM 48 C UNK 0 0.831 -2.349 4.622 0.00 0.00 C+0 HETATM 49 N UNK 0 -0.023 -1.438 4.124 0.00 0.00 N+0 HETATM 50 C UNK 0 -0.673 -0.620 4.967 0.00 0.00 C+0 HETATM 51 C UNK 0 -1.552 0.336 4.521 0.00 0.00 C+0 HETATM 52 C UNK 0 -2.029 0.450 3.180 0.00 0.00 C+0 HETATM 53 O UNK 0 -2.899 1.362 2.956 0.00 0.00 O+0 HETATM 54 N UNK 0 -1.695 -0.317 2.068 0.00 0.00 N+0 HETATM 55 C UNK 0 -2.259 -0.201 0.726 0.00 0.00 C+0 HETATM 56 C UNK 0 -2.567 1.154 0.260 0.00 0.00 C+0 HETATM 57 O UNK 0 -1.888 2.111 0.782 0.00 0.00 O+0 HETATM 58 N UNK 0 -3.530 1.537 -0.706 0.00 0.00 N+0 HETATM 59 C UNK 0 -3.668 1.030 -2.065 0.00 0.00 C+0 HETATM 60 C UNK 0 -2.360 1.100 -2.818 0.00 0.00 C+0 HETATM 61 C UNK 0 -2.581 0.502 -4.202 0.00 0.00 C+0 HETATM 62 C UNK 0 -1.923 2.551 -3.080 0.00 0.00 C+0 HETATM 63 C UNK 0 -4.630 1.863 -2.839 0.00 0.00 C+0 HETATM 64 O UNK 0 -4.624 3.098 -2.442 0.00 0.00 O+0 HETATM 65 N UNK 0 -5.490 1.479 -3.887 0.00 0.00 N+0 HETATM 66 C UNK 0 -5.719 2.123 -5.194 0.00 0.00 C+0 HETATM 67 C UNK 0 -4.854 3.270 -5.513 0.00 0.00 C+0 HETATM 68 C UNK 0 -5.568 0.952 -6.134 0.00 0.00 C+0 HETATM 69 C UNK 0 -6.182 -0.182 -5.352 0.00 0.00 C+0 HETATM 70 C UNK 0 -6.416 0.389 -3.943 0.00 0.00 C+0 HETATM 71 C UNK 0 -6.356 -0.643 -2.930 0.00 0.00 C+0 HETATM 72 O UNK 0 -5.709 -1.696 -3.164 0.00 0.00 O+0 HETATM 73 N UNK 0 -6.991 -0.550 -1.666 0.00 0.00 N+0 HETATM 74 C UNK 0 -7.492 -1.765 -0.993 0.00 0.00 C+0 HETATM 75 C UNK 0 -7.190 0.700 -0.982 0.00 0.00 C+0 HETATM 76 C UNK 0 -8.176 0.604 0.110 0.00 0.00 C+0 HETATM 77 O UNK 0 -9.390 0.785 -0.179 0.00 0.00 O+0 HETATM 78 N UNK 0 -7.866 0.322 1.469 0.00 0.00 N+0 HETATM 79 C UNK 0 -8.936 -0.198 2.290 0.00 0.00 C+0 HETATM 80 C UNK 0 -6.557 0.535 2.043 0.00 0.00 C+0 HETATM 81 C UNK 0 -6.581 1.076 3.439 0.00 0.00 C+0 HETATM 82 C UNK 0 -7.335 2.400 3.386 0.00 0.00 C+0 HETATM 83 C UNK 0 -7.011 0.163 4.516 0.00 0.00 C+0 HETATM 84 C UNK 0 -5.723 -0.730 1.950 0.00 0.00 C+0 HETATM 85 O UNK 0 -6.403 -1.760 2.294 0.00 0.00 O+0 HETATM 86 O UNK 0 -4.486 -0.666 1.560 0.00 0.00 O+0 HETATM 87 C UNK 0 -3.477 -1.127 0.788 0.00 0.00 C+0 HETATM 88 C UNK 0 -2.950 -2.527 1.204 0.00 0.00 C+0 HETATM 89 C UNK 0 -2.134 1.147 5.520 0.00 0.00 C+0 HETATM 90 N UNK 0 -3.030 2.166 5.148 0.00 0.00 N+0 HETATM 91 C UNK 0 -1.835 0.966 6.842 0.00 0.00 C+0 HETATM 92 O UNK 0 -2.392 1.720 7.690 0.00 0.00 O+0 HETATM 93 H UNK 0 0.089 0.521 9.120 0.00 0.00 H+0 HETATM 94 H UNK 0 -1.685 0.020 9.251 0.00 0.00 H+0 HETATM 95 H UNK 0 -0.431 -1.204 8.969 0.00 0.00 H+0 HETATM 96 H UNK 0 1.626 -4.493 8.285 0.00 0.00 H+0 HETATM 97 H UNK 0 3.261 -3.654 8.081 0.00 0.00 H+0 HETATM 98 H UNK 0 1.771 -2.724 8.415 0.00 0.00 H+0 HETATM 99 H UNK 0 3.276 -5.066 5.904 0.00 0.00 H+0 HETATM 100 H UNK 0 2.862 -4.823 3.501 0.00 0.00 H+0 HETATM 101 H UNK 0 3.285 -1.848 2.673 0.00 0.00 H+0 HETATM 102 H UNK 0 2.288 -1.973 -0.113 0.00 0.00 H+0 HETATM 103 H UNK 0 6.011 -0.664 -0.473 0.00 0.00 H+0 HETATM 104 H UNK 0 4.186 -2.708 -1.595 0.00 0.00 H+0 HETATM 105 H UNK 0 6.025 -4.394 -1.582 0.00 0.00 H+0 HETATM 106 H UNK 0 8.066 -3.332 -1.008 0.00 0.00 H+0 HETATM 107 H UNK 0 7.274 -2.158 0.079 0.00 0.00 H+0 HETATM 108 H UNK 0 7.501 -3.845 0.637 0.00 0.00 H+0 HETATM 109 H UNK 0 5.145 -5.303 0.297 0.00 0.00 H+0 HETATM 110 H UNK 0 5.400 -3.830 1.257 0.00 0.00 H+0 HETATM 111 H UNK 0 3.983 -3.885 0.186 0.00 0.00 H+0 HETATM 112 H UNK 0 7.909 -3.692 -3.944 0.00 0.00 H+0 HETATM 113 H UNK 0 6.554 -1.768 -5.870 0.00 0.00 H+0 HETATM 114 H UNK 0 7.406 -3.313 -6.227 0.00 0.00 H+0 HETATM 115 H UNK 0 5.933 -3.379 -5.234 0.00 0.00 H+0 HETATM 116 H UNK 0 9.822 -2.855 -4.736 0.00 0.00 H+0 HETATM 117 H UNK 0 9.080 -1.271 -5.254 0.00 0.00 H+0 HETATM 118 H UNK 0 10.181 -0.749 -3.167 0.00 0.00 H+0 HETATM 119 H UNK 0 9.701 -2.365 -2.440 0.00 0.00 H+0 HETATM 120 H UNK 0 8.187 -0.888 -1.600 0.00 0.00 H+0 HETATM 121 H UNK 0 8.676 2.806 -1.657 0.00 0.00 H+0 HETATM 122 H UNK 0 7.453 3.754 -2.599 0.00 0.00 H+0 HETATM 123 H UNK 0 8.880 3.103 -3.406 0.00 0.00 H+0 HETATM 124 H UNK 0 5.638 2.608 -3.335 0.00 0.00 H+0 HETATM 125 H UNK 0 5.426 0.878 -3.035 0.00 0.00 H+0 HETATM 126 H UNK 0 3.877 4.384 0.538 0.00 0.00 H+0 HETATM 127 H UNK 0 5.607 4.415 0.143 0.00 0.00 H+0 HETATM 128 H UNK 0 5.001 3.079 1.167 0.00 0.00 H+0 HETATM 129 H UNK 0 2.488 3.288 -0.477 0.00 0.00 H+0 HETATM 130 H UNK 0 3.437 3.068 -3.367 0.00 0.00 H+0 HETATM 131 H UNK 0 1.026 2.321 -2.606 0.00 0.00 H+0 HETATM 132 H UNK 0 1.261 3.489 -3.935 0.00 0.00 H+0 HETATM 133 H UNK 0 0.831 4.145 -2.311 0.00 0.00 H+0 HETATM 134 H UNK 0 2.943 5.397 -1.434 0.00 0.00 H+0 HETATM 135 H UNK 0 4.208 5.213 -2.662 0.00 0.00 H+0 HETATM 136 H UNK 0 2.473 5.528 -3.129 0.00 0.00 H+0 HETATM 137 H UNK 0 0.837 -0.513 0.737 0.00 0.00 H+0 HETATM 138 H UNK 0 0.979 0.945 2.429 0.00 0.00 H+0 HETATM 139 H UNK 0 2.396 -0.016 2.870 0.00 0.00 H+0 HETATM 140 H UNK 0 2.543 1.581 1.934 0.00 0.00 H+0 HETATM 141 H UNK 0 -0.978 -1.063 2.169 0.00 0.00 H+0 HETATM 142 H UNK 0 -1.468 -0.577 0.029 0.00 0.00 H+0 HETATM 143 H UNK 0 -4.221 2.270 -0.430 0.00 0.00 H+0 HETATM 144 H UNK 0 -3.977 0.005 -2.048 0.00 0.00 H+0 HETATM 145 H UNK 0 -1.526 0.614 -2.332 0.00 0.00 H+0 HETATM 146 H UNK 0 -1.799 -0.279 -4.402 0.00 0.00 H+0 HETATM 147 H UNK 0 -2.479 1.225 -5.011 0.00 0.00 H+0 HETATM 148 H UNK 0 -3.543 -0.041 -4.244 0.00 0.00 H+0 HETATM 149 H UNK 0 -2.668 3.119 -3.655 0.00 0.00 H+0 HETATM 150 H UNK 0 -1.075 2.410 -3.829 0.00 0.00 H+0 HETATM 151 H UNK 0 -1.491 3.023 -2.211 0.00 0.00 H+0 HETATM 152 H UNK 0 -6.795 2.420 -5.262 0.00 0.00 H+0 HETATM 153 H UNK 0 -5.375 3.906 -6.271 0.00 0.00 H+0 HETATM 154 H UNK 0 -3.834 2.995 -5.885 0.00 0.00 H+0 HETATM 155 H UNK 0 -4.694 3.945 -4.644 0.00 0.00 H+0 HETATM 156 H UNK 0 -4.471 0.805 -6.303 0.00 0.00 H+0 HETATM 157 H UNK 0 -6.092 1.134 -7.101 0.00 0.00 H+0 HETATM 158 H UNK 0 -7.147 -0.517 -5.795 0.00 0.00 H+0 HETATM 159 H UNK 0 -5.455 -1.008 -5.229 0.00 0.00 H+0 HETATM 160 H UNK 0 -7.438 0.863 -4.019 0.00 0.00 H+0 HETATM 161 H UNK 0 -7.864 -1.575 0.004 0.00 0.00 H+0 HETATM 162 H UNK 0 -6.752 -2.566 -1.040 0.00 0.00 H+0 HETATM 163 H UNK 0 -8.397 -2.076 -1.598 0.00 0.00 H+0 HETATM 164 H UNK 0 -7.571 1.441 -1.746 0.00 0.00 H+0 HETATM 165 H UNK 0 -6.285 1.143 -0.575 0.00 0.00 H+0 HETATM 166 H UNK 0 -8.791 -1.274 2.422 0.00 0.00 H+0 HETATM 167 H UNK 0 -9.076 0.384 3.222 0.00 0.00 H+0 HETATM 168 H UNK 0 -9.932 -0.112 1.755 0.00 0.00 H+0 HETATM 169 H UNK 0 -6.073 1.344 1.420 0.00 0.00 H+0 HETATM 170 H UNK 0 -5.504 1.399 3.635 0.00 0.00 H+0 HETATM 171 H UNK 0 -6.691 3.277 3.590 0.00 0.00 H+0 HETATM 172 H UNK 0 -7.820 2.575 2.407 0.00 0.00 H+0 HETATM 173 H UNK 0 -8.088 2.413 4.220 0.00 0.00 H+0 HETATM 174 H UNK 0 -7.302 -0.856 4.217 0.00 0.00 H+0 HETATM 175 H UNK 0 -7.769 0.650 5.200 0.00 0.00 H+0 HETATM 176 H UNK 0 -6.145 -0.018 5.235 0.00 0.00 H+0 HETATM 177 H UNK 0 -3.809 -1.299 -0.243 0.00 0.00 H+0 HETATM 178 H UNK 0 -1.975 -2.673 0.724 0.00 0.00 H+0 HETATM 179 H UNK 0 -2.835 -2.529 2.287 0.00 0.00 H+0 HETATM 180 H UNK 0 -3.682 -3.304 0.852 0.00 0.00 H+0 HETATM 181 H UNK 0 -2.637 2.981 4.630 0.00 0.00 H+0 HETATM 182 H UNK 0 -4.045 2.170 5.355 0.00 0.00 H+0 CONECT 1 2 93 94 95 CONECT 2 1 3 91 CONECT 3 2 4 50 CONECT 4 3 5 CONECT 5 4 6 48 CONECT 6 5 7 8 CONECT 7 6 96 97 98 CONECT 8 6 9 99 CONECT 9 8 10 100 CONECT 10 9 11 48 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 101 CONECT 14 13 15 46 102 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 103 CONECT 18 17 19 22 104 CONECT 19 18 20 21 105 CONECT 20 19 106 107 108 CONECT 21 19 109 110 111 CONECT 22 18 23 24 CONECT 23 22 CONECT 24 22 25 29 CONECT 25 24 26 27 112 CONECT 26 25 113 114 115 CONECT 27 25 28 116 117 CONECT 28 27 29 118 119 CONECT 29 28 30 24 120 CONECT 30 29 31 32 CONECT 31 30 CONECT 32 30 33 34 CONECT 33 32 121 122 123 CONECT 34 32 35 124 125 CONECT 35 34 36 37 CONECT 36 35 CONECT 37 35 38 39 CONECT 38 37 126 127 128 CONECT 39 37 40 43 129 CONECT 40 39 41 42 130 CONECT 41 40 131 132 133 CONECT 42 40 134 135 136 CONECT 43 39 44 45 CONECT 44 43 CONECT 45 43 46 CONECT 46 45 47 14 137 CONECT 47 46 138 139 140 CONECT 48 10 49 5 CONECT 49 48 50 CONECT 50 49 51 3 CONECT 51 50 52 89 CONECT 52 51 53 54 CONECT 53 52 CONECT 54 52 55 141 CONECT 55 54 56 87 142 CONECT 56 55 57 58 CONECT 57 56 CONECT 58 56 59 143 CONECT 59 58 60 63 144 CONECT 60 59 61 62 145 CONECT 61 60 146 147 148 CONECT 62 60 149 150 151 CONECT 63 59 64 65 CONECT 64 63 CONECT 65 63 66 70 CONECT 66 65 67 68 152 CONECT 67 66 153 154 155 CONECT 68 66 69 156 157 CONECT 69 68 70 158 159 CONECT 70 69 71 65 160 CONECT 71 70 72 73 CONECT 72 71 CONECT 73 71 74 75 CONECT 74 73 161 162 163 CONECT 75 73 76 164 165 CONECT 76 75 77 78 CONECT 77 76 CONECT 78 76 79 80 CONECT 79 78 166 167 168 CONECT 80 78 81 84 169 CONECT 81 80 82 83 170 CONECT 82 81 171 172 173 CONECT 83 81 174 175 176 CONECT 84 80 85 86 CONECT 85 84 CONECT 86 84 87 CONECT 87 86 88 55 177 CONECT 88 87 178 179 180 CONECT 89 51 90 91 CONECT 90 89 181 182 CONECT 91 89 92 2 CONECT 92 91 CONECT 93 1 CONECT 94 1 CONECT 95 1 CONECT 96 7 CONECT 97 7 CONECT 98 7 CONECT 99 8 CONECT 100 9 CONECT 101 13 CONECT 102 14 CONECT 103 17 CONECT 104 18 CONECT 105 19 CONECT 106 20 CONECT 107 20 CONECT 108 20 CONECT 109 21 CONECT 110 21 CONECT 111 21 CONECT 112 25 CONECT 113 26 CONECT 114 26 CONECT 115 26 CONECT 116 27 CONECT 117 27 CONECT 118 28 CONECT 119 28 CONECT 120 29 CONECT 121 33 CONECT 122 33 CONECT 123 33 CONECT 124 34 CONECT 125 34 CONECT 126 38 CONECT 127 38 CONECT 128 38 CONECT 129 39 CONECT 130 40 CONECT 131 41 CONECT 132 41 CONECT 133 41 CONECT 134 42 CONECT 135 42 CONECT 136 42 CONECT 137 46 CONECT 138 47 CONECT 139 47 CONECT 140 47 CONECT 141 54 CONECT 142 55 CONECT 143 58 CONECT 144 59 CONECT 145 60 CONECT 146 61 CONECT 147 61 CONECT 148 61 CONECT 149 62 CONECT 150 62 CONECT 151 62 CONECT 152 66 CONECT 153 67 CONECT 154 67 CONECT 155 67 CONECT 156 68 CONECT 157 68 CONECT 158 69 CONECT 159 69 CONECT 160 70 CONECT 161 74 CONECT 162 74 CONECT 163 74 CONECT 164 75 CONECT 165 75 CONECT 166 79 CONECT 167 79 CONECT 168 79 CONECT 169 80 CONECT 170 81 CONECT 171 82 CONECT 172 82 CONECT 173 82 CONECT 174 83 CONECT 175 83 CONECT 176 83 CONECT 177 87 CONECT 178 88 CONECT 179 88 CONECT 180 88 CONECT 181 90 CONECT 182 90 MASTER 0 0 0 0 0 0 0 0 182 0 376 0 END SMILES for NP0015824 (Actinomycin Zp)[H]N([H])C1=C(C(=O)N([H])[C@]2([H])C(=O)N([H])[C@@]([H])(C(=O)N3[C@]([H])(C(=O)N(C([H])([H])[H])C([H])([H])C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)O[C@]2([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]3([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C2=NC3=C(C([H])=C([H])C(=C3OC2=C(C1=O)C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@]1([H])C(=O)N([H])[C@@]([H])(C(=O)N2[C@]([H])(C(=O)N(C([H])([H])[H])C([H])([H])C(=O)N(C([H])([H])[H])[C@]([H])(C(=O)O[C@]1([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]2([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0015824 (Actinomycin Zp)InChI=1S/C64H90N12O16/c1-27(2)44-61(86)75-32(10)20-23-38(75)59(84)71(15)25-40(77)73(17)50(29(5)6)63(88)90-35(13)46(57(82)67-44)69-55(80)37-22-19-31(9)53-48(37)66-49-42(43(65)52(79)34(12)54(49)92-53)56(81)70-47-36(14)91-64(89)51(30(7)8)74(18)41(78)26-72(16)60(85)39-24-21-33(11)76(39)62(87)45(28(3)4)68-58(47)83/h19,22,27-30,32-33,35-36,38-39,44-47,50-51H,20-21,23-26,65H2,1-18H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)/t32-,33-,35+,36+,38-,39-,44+,45+,46-,47-,50-,51-/m0/s1 3D Structure for NP0015824 (Actinomycin Zp) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C64H90N12O16 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1283.4920 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1282.65977 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | N1,N9-bis[(6S,9R,10S,13R,16S,18aS)-2,5,9,16-tetramethyl-1,4,7,11,14-pentaoxo-6,13-bis(propan-2-yl)-hexadecahydro-1H-pyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | N1,N9-bis[(6S,9R,10S,13R,16S,18aS)-6,13-diisopropyl-2,5,9,16-tetramethyl-1,4,7,11,14-pentaoxo-decahydropyrrolo[2,1-i]1-oxa-4,7,10,13-tetraazacyclohexadecan-10-yl]-2-amino-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=C3N=C4C(OC3=C(C)C=C2)=C(C)C(=O)C(N)=C4C(=O)N[C@H]2[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]3CC[C@H](C)N3C(=O)[C@H](NC2=O)C(C)C)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CC[C@H](C)N2C1=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C64H90N12O16/c1-27(2)44-61(86)75-32(10)20-23-38(75)59(84)71(15)25-40(77)73(17)50(29(5)6)63(88)90-35(13)46(57(82)67-44)69-55(80)37-22-19-31(9)53-48(37)66-49-42(43(65)52(79)34(12)54(49)92-53)56(81)70-47-36(14)91-64(89)51(30(7)8)74(18)41(78)26-72(16)60(85)39-24-21-33(11)76(39)62(87)45(28(3)4)68-58(47)83/h19,22,27-30,32-33,35-36,38-39,44-47,50-51H,20-21,23-26,65H2,1-18H3,(H,67,82)(H,68,83)(H,69,80)(H,70,81)/t32-,33-,35+,36+,38-,39-,44+,45+,46-,47-,50-,51-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | ITWSHIDIEVXQRA-BSBLWUGNSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA022069 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 76789541 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 137641319 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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