NP-MRD: Showing NP-Card for n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide (NP0260477)

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Record Information

Version

2.0

Created at

2022-09-08 02:39:45 UTC

Updated at

2022-09-08 02:39:45 UTC

NP-MRD ID

NP0260477

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide

Description

Saframycin G 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. n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide is found in Streptomyces lavendulae. n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide was first documented in 1995 (PMID: 7553964). Based on a literature review very few articles have been published on Saframycin G.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309082204392D          

 42 46  0  0  1  0            999 V2000
    9.0784    1.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3656    2.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9201    1.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1411    2.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9400    2.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3818    3.1496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5633    2.7996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.2381    5.4425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3 10  1  0  0  0  0
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  8 40  1  0  0  0  0
 38 41  1  6  0  0  0
 24 41  1  6  0  0  0
 41 42  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309082204392D          

 42 46  0  0  1  0            999 V2000
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    3.0302    1.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6110    0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0276    0.1342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    0.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040    0.2008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4712    0.0469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3803    1.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5439    1.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7995    2.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1447    2.9262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8251    1.3930    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5434    1.7988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1212    1.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9620    2.4957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8118    2.8405    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  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  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
  3 10  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  1  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
 17 19  2  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  3  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 27 36  1  0  0  0  0
 36 37  2  0  0  0  0
 28 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 20  1  1  0  0  0
 39 40  1  0  0  0  0
  8 40  1  0  0  0  0
 38 41  1  6  0  0  0
 24 41  1  6  0  0  0
 41 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0260477

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(C)C(=O)C2=C([C@H](CNC(=O)C(C)=O)N3[C@@H](C2)[C@@H]2N(C)[C@@H]([C@@H](O)C4=C2C(=O)C(OC)=C(C)C4=O)C3C#N)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H30N4O9/c1-10-22(35)13-7-14-20-18-19(23(36)11(2)28(42-6)26(18)39)24(37)21(32(20)4)15(8-30)33(14)16(9-31-29(40)12(3)34)17(13)25(38)27(10)41-5/h14-16,20-21,24,37H,7,9H2,1-6H3,(H,31,40)/t14-,15?,16-,20-,21+,24-/m0/s1

> <INCHI_KEY>
YQQUMADRNAOVHP-SEBJRLBMSA-N

> <FORMULA>
C29H30N4O9

> <MOLECULAR_WEIGHT>
578.578

> <EXACT_MASS>
578.201278562

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
57.15467534862479

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-{[(1R,2S,10R,13R,14S)-12-cyano-14-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}-2-oxopropanamide

> <JCHEM_LOGP>
-0.44525186499999964

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.650426982465603

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.116359078956242

> <JCHEM_PKA_STRONGEST_BASIC>
1.2423550925419622

> <JCHEM_POLAR_SURFACE_AREA>
183.40999999999997

> <JCHEM_REFRACTIVITY>
148.67629999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
N-{[(1R,2S,10R,13R,14S)-12-cyano-14-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}-2-oxopropanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-SEP-22         0                                  
HETATM    1  C   UNK     0      16.946   2.900   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      15.616   3.760   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      14.033   3.412   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.621   1.928   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.610   0.675   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.129   1.544   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      11.836  -0.031   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      11.051   2.643   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.463   4.127   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      12.955   4.511   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      13.779   5.879   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      10.385   5.226   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.557   6.956   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       9.646   8.560   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       9.778  10.159   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      11.314  10.266   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.888  11.479   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.352  11.372   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       9.563  12.863   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0       8.325   4.520   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       8.136   6.182   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.246   7.382   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0      10.790   8.209   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       6.653   6.595   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.312   5.838   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       4.493   7.209   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       4.899   4.354   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.656   3.013   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       4.874   1.687   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       5.651   0.251   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       3.334   1.701   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.434   0.375   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.880   0.087   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.577   3.042   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.015   3.311   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       3.359   4.368   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       2.137   5.462   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       7.140   2.600   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       8.481   3.358   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       9.560   2.259   0.000  0.00  0.00           C+0
HETATM   41  N   UNK     0       7.396   4.659   0.000  0.00  0.00           N+0
HETATM   42  C   UNK     0       8.982   5.302   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   40                                                  
CONECT    9    8   10   12                                                  
CONECT   10    9    3   11                                                  
CONECT   11   10                                                            
CONECT   12    9   13   20                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   12   21   39                                                  
CONECT   21   20   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   21   25   41                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   36                                                  
CONECT   28   27   29   38                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   27   37                                                  
CONECT   37   36                                                            
CONECT   38   28   39   41                                                  
CONECT   39   38   20   40                                                  
CONECT   40   39    8                                                       
CONECT   41   38   24   42                                                  
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

View in JSmol

Synonyms

Value	Source
14-Hydroxysaframycin a	MeSH

Chemical Formula

C₂₉H₃₀N₄O₉

Average Mass

578.5780 Da

Monoisotopic Mass

578.20128 Da

IUPAC Name

N-{[(1R,2S,10R,13R,14S)-12-cyano-14-hydroxy-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-4(9),6,15(20),17-tetraen-10-yl]methyl}-2-oxopropanamide

Traditional Name

CAS Registry Number

Not Available

SMILES

COC1=C(C)C(=O)C2=C([C@H](CNC(=O)C(C)=O)N3[C@@H](C2)[C@@H]2N(C)[C@@H]([C@@H](O)C4=C2C(=O)C(OC)=C(C)C4=O)C3C#N)C1=O

InChI Identifier

InChI=1S/C29H30N4O9/c1-10-22(35)13-7-14-20-18-19(23(36)11(2)28(42-6)26(18)39)24(37)21(32(20)4)15(8-30)33(14)16(9-31-29(40)12(3)34)17(13)25(38)27(10)41-5/h14-16,20-21,24,37H,7,9H2,1-6H3,(H,31,40)/t14-,15?,16-,20-,21+,24-/m0/s1

InChI Key

YQQUMADRNAOVHP-SEBJRLBMSA-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
Streptomyces lavendulae	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-methylpiperazine
N-alkylpiperazine
1,4-diazinane
Piperazine
Vinylogous ester
Amino acid or derivatives
Alpha-aminonitrile
Carboxamide group
Tertiary aliphatic amine
Tertiary amine
Secondary carboxylic acid amide
Secondary alcohol
Ketone
Azacycle
Carboxylic acid derivative
Carbonitrile
Nitrile
Organic oxygen compound
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Cyanide
Carbonyl group
Amine
Organic oxide
Organonitrogen compound
Organooxygen compound
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
logP	-0.45	ChemAxon
pKa (Strongest Acidic)	12.12	ChemAxon
pKa (Strongest Basic)	1.24	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	183.41 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	148.68 m³·mol⁻¹	ChemAxon
Polarizability	57.15 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

58818391

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3086353

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Saito N, Harada S, Nishida M, Inouye I, Kubo A: Synthesis of saframycins. X. Transformation of (-)-saframycin A to (-)-saframycin Mx type compound with the structure proposed for saframycin E. Chem Pharm Bull (Tokyo). 1995 May;43(5):777-82. doi: 10.1248/cpb.43.777. [PubMed:7553964 ]
LOTUS database [Link]

Showing NP-Card for n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide (NP0260477)

MOL for NP0260477 (n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide)

3D MOL for NP0260477 (n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide)

3D SDF for NP0260477 (n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide)

3D-SDF for NP0260477 (n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide)

PDB for NP0260477 (n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide)

3D PDB for NP0260477 (n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide)

SMILES for NP0260477 (n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide)

INCHI for NP0260477 (n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide)

Structure for NP0260477 (n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide)

3D Structure for NP0260477 (n-{[(1r,2s,10r,13r,14s)-12-cyano-14-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}-2-oxopropanamide)