NP-MRD: Showing NP-Card for n-({12-cyano-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-oxobutanamide (NP0309207)

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Record Information

Version

1.0

Created at

2022-09-11 03:38:48 UTC

Updated at

2022-09-11 03:38:48 UTC

NP-MRD ID

NP0309207

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-({12-cyano-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-oxobutanamide

Description

Saframycin Ad-1 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-({12-cyano-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-oxobutanamide is found in Streptomyces lavendulae. Saframycin Ad-1 is a moderately basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004271515272D          

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M  END

     RDKit          3D

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M  END


  Mrv1533004271515272D          

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    3.5312    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119    1.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5177    1.8492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2870    1.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8812    0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0563    0.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3005   -0.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8947   -1.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8677    1.8336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0428    1.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8597   -1.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3680   -1.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8764   -2.5770    0.0000 N   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
  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
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 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  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 11 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  2  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 29 36  1  0  0  0  0
 36 37  2  0  0  0  0
 33 38  1  0  0  0  0
 38 39  1  0  0  0  0
 27 40  1  0  0  0  0
 10 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  3  0  0  0  0
M  END
> <DATABASE_ID>
NP0309207

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(=O)C(=O)NCC1N2C(CC3=C1C(=O)C(OC)=C(C)C3=O)C1N(C)C(CC3=C1C(=O)C(OC)=C(C)C3=O)C2C#N

> <INCHI_IDENTIFIER>
InChI=1S/C30H32N4O8/c1-7-20(35)30(40)32-11-19-21-14(24(36)12(2)28(41-5)26(21)38)9-17-23-22-15(25(37)13(3)29(42-6)27(22)39)8-16(33(23)4)18(10-31)34(17)19/h16-19,23H,7-9,11H2,1-6H3,(H,32,40)

> <INCHI_KEY>
GGGQHIDQYVATGY-UHFFFAOYSA-N

> <FORMULA>
C30H32N4O8

> <MOLECULAR_WEIGHT>
576.606

> <EXACT_MASS>
576.222014006

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
58.367295352187625

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-({12-cyano-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-oxobutanamide

> <ALOGPS_LOGP>
1.86

> <JCHEM_LOGP>
1.174280129

> <ALOGPS_LOGS>
-3.01

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.185962817306223

> <JCHEM_PKA_STRONGEST_BASIC>
2.010461126886215

> <JCHEM_POLAR_SURFACE_AREA>
163.17999999999998

> <JCHEM_REFRACTIVITY>
152.09569999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.65e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-({12-cyano-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-oxobutanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-APR-15         0                                  
HETATM    1  C   UNK     0      17.031  -7.033   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      15.540  -6.648   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.128  -5.165   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      16.206  -4.066   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      13.636  -4.780   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      12.558  -5.879   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      13.224  -3.297   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      11.733  -2.912   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.320  -1.428   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       9.829  -1.044   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0       9.416   0.440   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.495   1.539   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.986   1.155   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.399  -0.329   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      13.890  -0.714   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      14.302  -2.197   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      14.968   0.385   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.556   1.869   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      15.634   2.968   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.065   2.254   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      12.652   3.737   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      16.460   0.001   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      17.538   1.100   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.075   1.197   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0       8.331  -0.861   0.000  0.00  0.00           N+0
HETATM   26  C   UNK     0       9.458  -1.911   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.588  -2.797   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       6.247  -2.040   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.834  -0.556   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.591   0.785   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.809   2.111   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       6.566   3.452   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       4.269   2.096   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.512   0.755   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.972   0.741   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.294  -0.571   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       3.537  -1.912   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       3.486   3.423   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       1.946   3.408   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       9.071  -2.385   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      10.020  -3.598   0.000  0.00  0.00           C+0
HETATM   42  N   UNK     0      10.969  -4.810   0.000  0.00  0.00           N+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   14                                                  
CONECT   10    9   11   40                                                  
CONECT   11   10   12   24                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   20                                                  
CONECT   14   13    9   15                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   22                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   13   21                                                  
CONECT   21   20                                                            
CONECT   22   17   23                                                       
CONECT   23   22                                                            
CONECT   24   11   25   30                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   40                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   36                                                  
CONECT   30   29   24   31                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   38                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   29   37                                                  
CONECT   37   36                                                            
CONECT   38   33   39                                                       
CONECT   39   38                                                            
CONECT   40   27   10   41                                                  
CONECT   41   40   42                                                       
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

View in JSmol

Synonyms

Value	Source
Saframycin-ad-1	MeSH

Chemical Formula

C₃₀H₃₂N₄O₈

Average Mass

576.6060 Da

Monoisotopic Mass

576.22201 Da

IUPAC Name

N-({12-cyano-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-oxobutanamide

Traditional Name

N-({12-cyano-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-oxobutanamide

CAS Registry Number

Not Available

SMILES

CCC(=O)C(=O)NCC1N2C(CC3=C1C(=O)C(OC)=C(C)C3=O)C1N(C)C(CC3=C1C(=O)C(OC)=C(C)C3=O)C2C#N

InChI Identifier

InChI=1S/C30H32N4O8/c1-7-20(35)30(40)32-11-19-21-14(24(36)12(2)28(41-5)26(21)38)9-17-23-22-15(25(37)13(3)29(42-6)27(22)39)8-16(33(23)4)18(10-31)34(17)19/h16-19,23H,7-9,11H2,1-6H3,(H,32,40)

InChI Key

GGGQHIDQYVATGY-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
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
Fatty amide
N-acyl-amine
Piperazine
Fatty acyl
Vinylogous ester
Amino acid or derivatives
Tertiary aliphatic amine
Tertiary amine
Secondary carboxylic acid amide
Carboxamide group
Alpha-aminonitrile
Ketone
Azacycle
Carboxylic acid derivative
Carbonitrile
Nitrile
Organooxygen compound
Cyanide
Organic oxygen compound
Organic nitrogen compound
Amine
Hydrocarbon derivative
Organonitrogen compound
Organic oxide
Carbonyl group
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	1.86	ALOGPS
logP	1.17	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	12.19	ChemAxon
pKa (Strongest Basic)	2.01	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	163.18 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	152.1 m³·mol⁻¹	ChemAxon
Polarizability	58.37 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	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

Not Available

METLIN ID

Not Available

PubChem Compound

3086521

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-({12-cyano-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-oxobutanamide (NP0309207)

MOL for NP0309207 (n-({12-cyano-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-oxobutanamide)

3D MOL for NP0309207 (n-({12-cyano-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-oxobutanamide)

3D SDF for NP0309207 (n-({12-cyano-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-oxobutanamide)

3D-SDF for NP0309207 (n-({12-cyano-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-oxobutanamide)

PDB for NP0309207 (n-({12-cyano-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-oxobutanamide)

3D PDB for NP0309207 (n-({12-cyano-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-oxobutanamide)

SMILES for NP0309207 (n-({12-cyano-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-oxobutanamide)

INCHI for NP0309207 (n-({12-cyano-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-oxobutanamide)

Structure for NP0309207 (n-({12-cyano-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-oxobutanamide)

3D Structure for NP0309207 (n-({12-cyano-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-oxobutanamide)