NP-MRD: Showing NP-Card for {14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate (NP0269584)

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Record Information

Version

1.0

Created at

2022-09-08 15:08:14 UTC

Updated at

2022-09-08 15:08:15 UTC

NP-MRD ID

NP0269584

Secondary Accession Numbers

None

Natural Product Identification

Common Name

{14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

Description

Elatine belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position. {14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate is found in Delphinium elatum. Elatine is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004151518002D          

 50 58  0  0  0  0            999 V2000
   -0.0690   -3.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5634   -2.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -1.5027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4616   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083   -0.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    0.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4691    1.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3100    1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8462    0.4892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093    1.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1902    2.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5959    3.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4209    3.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8401    2.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4343    1.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8535    1.2431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6748    1.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3729    1.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8539    0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1433   -0.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648   -0.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7962   -0.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724    1.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894    0.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5102    1.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6864    2.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785   -0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9900   -0.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221    0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5662   -0.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8655   -0.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2454   -1.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3863   -1.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7350   -2.2254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2204   -2.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655   -2.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4471   -1.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4354   -1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -1.7289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3122   -1.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091   -0.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8674   -1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4704   -0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1102    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8424    0.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6924    0.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7691   -1.0391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4218   -1.6361    0.0000 C   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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  2  0  0  0  0
  5 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 35 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 43  1  0  0  0  0
  5 43  1  0  0  0  0
 29 43  1  0  0  0  0
 39 44  1  0  0  0  0
  3 44  1  0  0  0  0
 29 44  1  0  0  0  0
 35 45  1  0  0  0  0
 30 45  1  0  0  0  0
 45 46  1  0  0  0  0
 32 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 33 49  1  0  0  0  0
 49 50  1  0  0  0  0
M  END

     RDKit          3D

100108  0  0  0  0  0  0  0  0999 V2000
   -0.8952   -3.4760   -2.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7575   -1.9685   -2.8135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7911   -1.3776   -1.5369 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3273   -1.6986   -0.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -0.6952    0.3515 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8069    0.0135    0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8215   -1.0182    0.4128 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1416   -0.6249    0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3781    0.5855    0.1623 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2336   -1.5575    0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9136   -2.9056    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9027   -3.8413    0.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2355   -3.4736    0.7741 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5215   -2.1496    0.5586 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5308   -1.1733    0.4060 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9161    0.1627    0.1808 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5294    0.6108   -1.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9555   -0.1042   -2.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6126    2.0826   -1.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250    2.4970    0.1853 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6738    3.5665    0.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8263    1.2893    1.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6852    1.2412    2.3052 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5654   -1.5435    1.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5894   -2.4606    1.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9031   -1.9276    1.3565 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6557   -2.9181    0.7076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7802   -3.3215    1.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9646   -0.7227    0.5380 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9953   -0.9771   -0.9718 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2051    0.4765   -1.3866 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0212    0.5576   -2.7518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2186    0.9763   -3.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2277    0.7194   -2.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5943    0.9751   -1.2110 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8179    2.3197   -0.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1352    2.5251    0.7976 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1629    3.5152    0.8283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8051    4.6390    1.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7623    1.4028    1.5696 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7940    0.3232    2.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0284    0.2009    0.8577 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1708    0.0401   -0.1616 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4249    0.5839    0.4644 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.2018   -0.4165    0.9931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4985   -0.2923    0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0778    1.0729   -0.6127 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0142    1.1718   -1.5064 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3905    2.4976   -1.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6627    0.1251    0.4792 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9439   -3.7429   -2.7464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5643   -3.7846   -3.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2091   -3.9420   -2.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2549   -1.7521   -3.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4680   -1.5268   -3.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9743    0.7734    1.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8740   -3.2048    0.7491 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6232   -4.8788    1.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0223   -4.1856    0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5545   -1.7889    0.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0932    2.4355   -1.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9190    2.8847   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6713    3.2116    1.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7814    4.4845    0.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0890    3.8578    1.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5116   -2.1062    1.5947 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6008   -0.8599    2.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395   -2.7147    2.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4247   -3.4619    1.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5103   -1.7290    2.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6279   -2.6388    1.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1529   -4.2287    0.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7563   -1.6722   -1.3027 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4171   -0.2884   -0.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8553    0.7099    0.7763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2581    2.1142   -0.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2313    2.4833   -2.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8498    2.7957   -0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4212    3.1744   -1.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6591    0.7165    1.4296 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
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
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 17 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
  5 24  1  0
 24 25  1  0
 25 26  1  0
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 27 28  1  0
 29 26  1  1
 29 42  1  0
 42 41  1  0
 41 40  1  0
 40 44  1  0
 44 45  1  0
 45 46  1  0
 44 43  1  0
 43 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 35 34  1  6
 34 33  1  0
 33 32  1  0
 31 32  1  6
 31 47  1  0
 47 48  1  0
 48 49  1  0
 47 50  1  0
 31 30  1  0
 30  3  1  0
 50  5  1  0
 15 10  1  0
 22 16  1  0
 50 29  1  0
 30 29  1  0
 43 42  1  0
 31 35  1  0
 37 40  1  0
  1 51  1  0
  1 52  1  0
  1 53  1  0
  2 54  1  0
  2 55  1  0
  4 56  1  0
  4 57  1  0
  6 58  1  0
  6 59  1  0
 11 60  1  0
 12 61  1  0
 13 62  1  0
 14 63  1  0
 19 64  1  0
 19 65  1  0
 20 66  1  6
 21 67  1  0
 21 68  1  0
 21 69  1  0
 24 70  1  0
 24 71  1  0
 25 72  1  0
 25 73  1  0
 26 74  1  1
 28 75  1  0
 28 76  1  0
 28 77  1  0
 42 90  1  6
 41 88  1  0
 41 89  1  0
 40 87  1  1
 44 92  1  6
 46 93  1  0
 46 94  1  0
 46 95  1  0
 43 91  1  6
 36 81  1  0
 36 82  1  0
 37 83  1  1
 39 84  1  0
 39 85  1  0
 39 86  1  0
 33 79  1  0
 33 80  1  0
 47 96  1  1
 49 97  1  0
 49 98  1  0
 49 99  1  0
 50100  1  1
 30 78  1  1
M  END


  Mrv1533004151518002D          

 50 58  0  0  0  0            999 V2000
   -0.0690   -3.0079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5634   -2.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -1.5027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4616   -0.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8083   -0.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690    0.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4691    1.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3100    1.1597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8462    0.4892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093    1.9459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1902    2.6565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5959    3.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4209    3.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8401    2.6720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4343    1.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8535    1.2431    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6748    1.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3729    1.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8539    0.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1433   -0.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0648   -0.8812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5250    0.4863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7962   -0.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    0.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8724    1.0572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894    0.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5102    1.3180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6864    2.1702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1785   -0.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9900   -0.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221    0.5275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5662   -0.1437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8655   -0.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2454   -1.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3863   -1.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7350   -2.2254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2204   -2.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4655   -2.5216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4471   -1.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4354   -1.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5657   -1.7289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3122   -1.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5091   -0.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8674   -1.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4704   -0.5860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1102    0.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8424    0.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6924    0.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7691   -1.0391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4218   -1.6361    0.0000 C   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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  2  0  0  0  0
  5 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 35 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 40 43  1  0  0  0  0
  5 43  1  0  0  0  0
 29 43  1  0  0  0  0
 39 44  1  0  0  0  0
  3 44  1  0  0  0  0
 29 44  1  0  0  0  0
 35 45  1  0  0  0  0
 30 45  1  0  0  0  0
 45 46  1  0  0  0  0
 32 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 33 49  1  0  0  0  0
 49 50  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0269584

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCN1CC2(COC(=O)C3=CC=CC=C3N3C(=O)CC(C)C3=O)CCC(OC)C34C5CC6C(OC)C5C5(CC6OC)OCOC5(C(OC)C23)C14

> <INCHI_IDENTIFIER>
InChI=1S/C38H50N2O10/c1-7-39-17-35(18-48-33(43)21-10-8-9-11-24(21)40-27(41)14-20(2)32(40)42)13-12-26(45-4)37-23-15-22-25(44-3)16-36(28(23)29(22)46-5)38(34(37)39,50-19-49-36)31(47-6)30(35)37/h8-11,20,22-23,25-26,28-31,34H,7,12-19H2,1-6H3

> <INCHI_KEY>
KOWWOODYPWDWOJ-UHFFFAOYSA-N

> <FORMULA>
C38H50N2O10

> <MOLECULAR_WEIGHT>
694.822

> <EXACT_MASS>
694.346545818

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
100

> <JCHEM_AVERAGE_POLARIZABILITY>
74.48157017159303

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

> <ALOGPS_LOGP>
2.38

> <JCHEM_LOGP>
1.7430221476666632

> <ALOGPS_LOGS>
-4.73

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.060141409353122

> <JCHEM_PKA_STRONGEST_BASIC>
9.717047268812644

> <JCHEM_POLAR_SURFACE_AREA>
122.30000000000003

> <JCHEM_REFRACTIVITY>
177.95209999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.30e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-APR-15         0                                  
HETATM    1  C   UNK     0      -0.129  -5.615   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.052  -4.478   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       1.931  -2.805   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       0.862  -1.478   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.509  -0.003   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.315   1.068   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.876   2.021   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -2.445   2.165   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -3.446   0.913   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -3.004   3.632   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.222   4.959   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.979   6.300   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.519   6.314   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.301   4.988   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.544   3.647   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      -5.327   2.320   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      -6.860   2.174   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -8.163   3.096   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -7.194   0.671   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -5.867  -0.112   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.721  -1.645   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.713   0.908   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -3.353  -0.222   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.983   1.547   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.495   1.974   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.460   0.763   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       4.686   2.460   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       5.015   4.051   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.067  -0.840   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.581  -0.085   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       6.948   0.985   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       8.524  -0.268   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       9.082  -1.810   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.925  -2.889   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.321  -2.689   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       6.972  -4.154   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       6.011  -5.336   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       4.602  -4.707   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       4.568  -3.089   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       2.679  -2.337   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       1.056  -3.227   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -0.583  -3.542   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       2.817  -0.670   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       3.486  -2.651   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       6.478  -1.094   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       7.672   0.303   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       9.039   1.386   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      10.626   1.643   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      10.769  -1.940   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0      11.987  -3.054   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   44                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   24   43                                             
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10   16                                                  
CONECT   16   15   17   22                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   16   23                                                  
CONECT   23   22                                                            
CONECT   24    5   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   29                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26   30   43   44                                             
CONECT   30   29   31   45                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   46                                                  
CONECT   33   32   34   49                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   39   45                                             
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   35   40   44                                             
CONECT   40   39   41   43                                                  
CONECT   41   40   42                                                       
CONECT   42   41                                                            
CONECT   43   40    5   29                                                  
CONECT   44   39    3   29                                                  
CONECT   45   35   30   46                                                  
CONECT   46   45   32   47                                                  
CONECT   47   46   48                                                       
CONECT   48   47                                                            
CONECT   49   33   50                                                       
CONECT   50   49                                                            
MASTER        0    0    0    0    0    0    0    0   50    0  116    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₅₀N₂O₁₀

Average Mass

694.8220 Da

Monoisotopic Mass

694.34655 Da

IUPAC Name

{14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

Traditional Name

{14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate

CAS Registry Number

Not Available

SMILES

CCN1CC2(COC(=O)C3=CC=CC=C3N3C(=O)CC(C)C3=O)CCC(OC)C34C5CC6C(OC)C5C5(CC6OC)OCOC5(C(OC)C23)C14

InChI Identifier

InChI=1S/C38H50N2O10/c1-7-39-17-35(18-48-33(43)21-10-8-9-11-24(21)40-27(41)14-20(2)32(40)42)13-12-26(45-4)37-23-15-22-25(44-3)16-36(28(23)29(22)46-5)38(34(37)39,50-19-49-36)31(47-6)30(35)37/h8-11,20,22-23,25-26,28-31,34H,7,12-19H2,1-6H3

InChI Key

KOWWOODYPWDWOJ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Delphinium elatum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 3-alkylindoles. 3-Alkylindoles are compounds containing an indole moiety that carries an alkyl chain at the 3-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Indoles

Direct Parent

3-alkylindoles

Alternative Parents

Substituents

3-alkylindole
Aryl bromide
Aryl halide
Substituted pyrrole
Benzenoid
Heteroaromatic compound
Pyrrole
Carboxamide group
Ketimine
Lactam
Secondary carboxylic acid amide
Carboxylic acid derivative
Azacycle
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organonitrogen compound
Organobromide
Organohalogen compound
Hydrocarbon derivative
Organic oxide
Imine
Organopnictogen compound
Organooxygen compound
Organic nitrogen compound
Organic oxygen compound
Carbonyl group
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

organobromine compound (CHEBI:66000 )
pyrazines (CHEBI:66000 )
indole alkaloid (CHEBI:66000 )
lactam (CHEBI:66000 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.38	ALOGPS
logP	1.74	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	17.06	ChemAxon
pKa (Strongest Basic)	9.72	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	122.3 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	177.95 m³·mol⁻¹	ChemAxon
Polarizability	74.48 Å³	ChemAxon
Number of Rings	9	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Elatine

METLIN ID

Not Available

PubChem Compound

261185

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for {14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate (NP0269584)

MOL for NP0269584 ({14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate)

3D MOL for NP0269584 ({14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate)

3D SDF for NP0269584 ({14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate)

3D-SDF for NP0269584 ({14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate)

PDB for NP0269584 ({14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate)

3D PDB for NP0269584 ({14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate)

SMILES for NP0269584 ({14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate)

INCHI for NP0269584 ({14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate)

Structure for NP0269584 ({14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate)

3D Structure for NP0269584 ({14-ethyl-4,6,19,21-tetramethoxy-9,11-dioxa-14-azaheptacyclo[10.7.2.1²,⁵.0¹,¹³.0³,⁸.0⁸,¹².0¹⁶,²⁰]docosan-16-yl}methyl 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)benzoate)