NP-MRD: Showing NP-Card for [(1r,2s,10r,12s,13r)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate (NP0225969)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-06 04:51:14 UTC

Updated at

2022-09-06 04:51:15 UTC

NP-MRD ID

NP0225969

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(1r,2s,10r,12s,13r)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate

Description

Renieramycin E belongs to the class of organic compounds known as isoquinoline quinones. These are isoquinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton. [(1r,2s,10r,12s,13r)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate is found in Haliclona. Based on a literature review very few articles have been published on Renieramycin E.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309062206512D          

 41 45  0  0  1  0            999 V2000
    7.2464   -5.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8242   -4.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6031   -3.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1810   -3.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8043   -3.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2265   -4.3591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5832   -2.9754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7844   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5633   -1.9746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1411   -1.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9201   -0.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1212   -0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5434   -0.9738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8251   -0.5680    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0302   -0.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6245   -1.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8455   -2.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5639   -2.7080    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3587   -2.4869    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8671   -3.1367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7644   -1.7686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620   -1.6707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5657   -2.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7995   -1.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3938   -2.2336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5553   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860   -0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3668    0.6242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5418    0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6110   -0.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4979   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2769    0.7928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2968   -0.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8746    0.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5178   -1.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -1.2089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8945   -0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9400   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1611   -2.3866    0.0000 O   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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 13 21  1  6  0  0  0
  9 21  1  0  0  0  0
 18 22  1  6  0  0  0
 14 22  1  1  0  0  0
 22 23  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 15 31  1  0  0  0  0
 31 32  2  0  0  0  0
 11 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 37 40  1  0  0  0  0
 10 40  1  0  0  0  0
 40 41  2  0  0  0  0
M  END


  Mrv1652309062206512D          

 41 45  0  0  1  0            999 V2000
    7.2464   -5.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8242   -4.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6031   -3.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1810   -3.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8043   -3.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2265   -4.3591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5832   -2.9754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7844   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5633   -1.9746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1411   -1.3857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9201   -0.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1212   -0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5434   -0.9738    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8251   -0.5680    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0302   -0.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6245   -1.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8455   -2.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5639   -2.7080    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3587   -2.4869    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8671   -3.1367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7644   -1.7686    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620   -1.6707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5657   -2.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7995   -1.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3938   -2.2336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803   -0.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5553   -0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860   -0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3668    0.6242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5418    0.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6110   -0.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.6398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4979   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2769    0.7928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2968   -0.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8746    0.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5178   -1.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167   -1.2089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8945   -0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9400   -1.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1611   -2.3866    0.0000 O   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
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 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
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 13 21  1  6  0  0  0
  9 21  1  0  0  0  0
 18 22  1  6  0  0  0
 14 22  1  1  0  0  0
 22 23  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 15 31  1  0  0  0  0
 31 32  2  0  0  0  0
 11 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 37 40  1  0  0  0  0
 10 40  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0225969

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(C)C(=O)C2=C([C@H](COC(=O)C(\C)=C/C)N3[C@@H](O)[C@H]4CC5=C([C@H]([C@@H]3C2)N4C)C(=O)C(OC)=C(C)C5=O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H34N2O9/c1-8-12(2)30(38)41-11-19-20-15(23(33)13(3)27(39-6)25(20)35)9-17-22-21-16(10-18(31(22)5)29(37)32(17)19)24(34)14(4)28(40-7)26(21)36/h8,17-19,22,29,37H,9-11H2,1-7H3/b12-8-/t17-,18+,19-,22-,29-/m0/s1

> <INCHI_KEY>
BGHIUZDGPHSOIT-QRUTVPHISA-N

> <FORMULA>
C30H34N2O9

> <MOLECULAR_WEIGHT>
566.607

> <EXACT_MASS>
566.226430683

> <ALOGPS_LOGP>
2.33

> <ALOGPS_LOGS>
-2.91

> <ALOGPS_SOLUBILITY>
6.95e-01 g/l

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      13.527 -10.005   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.605  -8.906   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.193  -7.422   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      15.271  -6.323   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.701  -7.038   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      11.623  -8.137   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      12.289  -5.554   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.797  -5.170   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.385  -3.686   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.463  -2.587   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.051  -1.103   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       9.560  -0.719   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.481  -1.818   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.140  -1.060   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.656  -1.473   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.899  -2.814   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.312  -4.298   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.653  -5.055   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.136  -4.642   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       9.085  -5.855   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0       8.894  -3.301   0.000  0.00  0.00           N+0
HETATM   22  N   UNK     0       7.396  -3.119   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       8.523  -4.168   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.359  -2.828   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.602  -4.169   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       2.577  -1.502   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.037  -1.517   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       3.334  -0.161   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.551   1.165   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       1.011   1.151   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.874  -0.147   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       5.631   1.194   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      12.129  -0.004   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      11.717   1.480   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      13.621  -0.388   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      14.699   0.711   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      14.033  -1.872   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      15.525  -2.257   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      16.603  -1.157   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      12.955  -2.971   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      13.367  -4.455   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   21                                                  
CONECT   10    9   11   40                                                  
CONECT   11   10   12   33                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13   15   22                                                  
CONECT   15   14   16   31                                                  
CONECT   16   15   17   24                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   22                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   13    9                                                  
CONECT   22   18   14   23                                                  
CONECT   23   22                                                            
CONECT   24   16   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   15   32                                                  
CONECT   32   31                                                            
CONECT   33   11   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   40                                                  
CONECT   38   37   39                                                       
CONECT   39   38                                                            
CONECT   40   37   10   41                                                  
CONECT   41   40                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   90    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₄N₂O₉

Average Mass

566.6070 Da

Monoisotopic Mass

566.22643 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=C(C)C(=O)C2=C([C@H](COC(=O)C(\C)=C/C)N3[C@@H](O)[C@H]4CC5=C([C@H]([C@@H]3C2)N4C)C(=O)C(OC)=C(C)C5=O)C1=O

InChI Identifier

InChI=1S/C30H34N2O9/c1-8-12(2)30(38)41-11-19-20-15(23(33)13(3)27(39-6)25(20)35)9-17-22-21-16(10-18(31(22)5)29(37)32(17)19)24(34)14(4)28(40-7)26(21)36/h8,17-19,22,29,37H,9-11H2,1-7H3/b12-8-/t17-,18+,19-,22-,29-/m0/s1

InChI Key

BGHIUZDGPHSOIT-QRUTVPHISA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Haliclona	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoquinoline quinones. These are isoquinoline derivative with a structure containing a 5,8-dihydroisoquinoline-5,8-dione skeleton.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Sub Class

Isoquinoline quinones

Direct Parent

Isoquinoline quinones

Alternative Parents

Substituents

Isoquinoline quinone
Isoquinolone
N-alkylpiperazine
N-methylpiperazine
Fatty acid ester
Fatty acyl
Piperazine
1,4-diazinane
Vinylogous ester
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Tertiary aliphatic amine
Tertiary amine
Ketone
Hemiaminal
Carboxylic acid ester
Amino acid or derivatives
Azacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Alkanolamine
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

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

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

Not Available

METLIN ID

Not Available

PubChem Compound

54608526

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(1r,2s,10r,12s,13r)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate (NP0225969)

MOL for NP0225969 ([(1r,2s,10r,12s,13r)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate)

3D MOL for NP0225969 ([(1r,2s,10r,12s,13r)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate)

3D SDF for NP0225969 ([(1r,2s,10r,12s,13r)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate)

3D-SDF for NP0225969 ([(1r,2s,10r,12s,13r)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate)

PDB for NP0225969 ([(1r,2s,10r,12s,13r)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate)

3D PDB for NP0225969 ([(1r,2s,10r,12s,13r)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate)

SMILES for NP0225969 ([(1r,2s,10r,12s,13r)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate)

INCHI for NP0225969 ([(1r,2s,10r,12s,13r)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate)

Structure for NP0225969 ([(1r,2s,10r,12s,13r)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate)

3D Structure for NP0225969 ([(1r,2s,10r,12s,13r)-12-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0²,¹¹.0⁴,⁹.0¹⁵,²⁰]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl (2z)-2-methylbut-2-enoate)