NP-MRD: Showing NP-Card for 2-amino-n-{[(2s)-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}butanimidic acid (NP0298844)

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Record Information

Version

2.0

Created at

2022-09-10 10:21:05 UTC

Updated at

2022-09-10 10:21:06 UTC

NP-MRD ID

NP0298844

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-amino-n-{[(2s)-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}butanimidic acid

Description

Saframycin-Yd1 belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids. 2-amino-n-{[(2s)-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}butanimidic acid is found in Streptomyces lavendulae. Based on a literature review very few articles have been published on Saframycin-Yd1.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102212212D          

 42 46  0  0  1  0            999 V2000
    8.6231   -4.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 42  2  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309102212212D          

 42 46  0  0  1  0            999 V2000
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    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  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  4  0  0  0
  8  9  1  0  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  0  0  0  0
 20 21  3  0  0  0  0
 19 22  1  0  0  0  0
  9 22  1  0  0  0  0
 13 22  1  6  0  0  0
 18 23  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  0  0  0  0
 15 32  1  0  0  0  0
 32 33  2  0  0  0  0
 11 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 38 41  1  0  0  0  0
 10 41  1  0  0  0  0
 41 42  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0298844

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC(N)C(O)=NCC1N2[C@@H](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/C30H35N5O7/c1-7-16(32)30(40)33-11-20-21-14(24(36)12(2)28(41-5)26(21)38)9-18-23-22-15(25(37)13(3)29(42-6)27(22)39)8-17(34(23)4)19(10-31)35(18)20/h16-20,23H,7-9,11,32H2,1-6H3,(H,33,40)/t16?,17?,18-,19?,20?,23?/m0/s1

> <INCHI_KEY>
GTEZNZCFRJDWFN-UOZNNZGFSA-N

> <FORMULA>
C30H35N5O7

> <MOLECULAR_WEIGHT>
577.638

> <EXACT_MASS>
577.253648487

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
58.01894605575544

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-N-{[(2S)-12-cyano-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}butanimidic acid

> <JCHEM_LOGP>
-1.0922690864893587

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5841056502467228

> <JCHEM_PKA_STRONGEST_BASIC>
9.220798751496854

> <JCHEM_POLAR_SURFACE_AREA>
175.61999999999998

> <JCHEM_REFRACTIVITY>
155.02209999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-N-{[(2S)-12-cyano-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}butanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0      16.096  -9.290   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  N   UNK     0      15.271  -6.323   0.000  0.00  0.00           N+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  N   UNK     0      12.289  -5.554   0.000  0.00  0.00           N+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  C   UNK     0       9.085  -5.855   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      10.034  -7.068   0.000  0.00  0.00           N+0
HETATM   22  N   UNK     0       8.894  -3.301   0.000  0.00  0.00           N+0
HETATM   23  N   UNK     0       7.396  -3.119   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       8.523  -4.168   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.359  -2.828   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       2.602  -4.169   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       2.577  -1.502   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.037  -1.517   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.334  -0.161   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       2.551   1.165   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       1.011   1.151   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.874  -0.147   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       5.631   1.194   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      12.129  -0.004   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      11.717   1.480   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      13.621  -0.388   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      14.699   0.711   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      14.033  -1.872   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      15.525  -2.257   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      16.603  -1.157   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      12.955  -2.971   0.000  0.00  0.00           C+0
HETATM   42  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   22                                                  
CONECT   10    9   11   41                                                  
CONECT   11   10   12   34                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   22                                                  
CONECT   14   13   15   23                                                  
CONECT   15   14   16   32                                                  
CONECT   16   15   17   25                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19    9   13                                                  
CONECT   23   18   14   24                                                  
CONECT   24   23                                                            
CONECT   25   16   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   29   15   33                                                  
CONECT   33   32                                                            
CONECT   34   11   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   41                                                  
CONECT   39   38   40                                                       
CONECT   40   39                                                            
CONECT   41   38   10   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 yd-1	MeSH

Chemical Formula

C₃₀H₃₅N₅O₇

Average Mass

577.6380 Da

Monoisotopic Mass

577.25365 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCC(N)C(O)=NCC1N2[C@@H](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/C30H35N5O7/c1-7-16(32)30(40)33-11-20-21-14(24(36)12(2)28(41-5)26(21)38)9-18-23-22-15(25(37)13(3)29(42-6)27(22)39)8-17(34(23)4)19(10-31)35(18)20/h16-20,23H,7-9,11,32H2,1-6H3,(H,33,40)/t16?,17?,18-,19?,20?,23?/m0/s1

InChI Key

GTEZNZCFRJDWFN-UOZNNZGFSA-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 alpha amino acid amides. These are amide derivatives of alpha amino acids.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acid amides

Alternative Parents

Substituents

Isoquinoline quinone
Alpha-amino acid amide
Isoquinolone
N-alkylpiperazine
N-methylpiperazine
Fatty acyl
Piperazine
N-acyl-amine
Fatty amide
1,4-diazinane
Vinylogous ester
Alpha-aminonitrile
Tertiary aliphatic amine
Tertiary amine
Secondary carboxylic acid amide
Ketone
Carboxamide group
Azacycle
Organoheterocyclic compound
Nitrile
Carbonitrile
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
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

112842

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

127108

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-amino-n-{[(2s)-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}butanimidic acid (NP0298844)

MOL for NP0298844 (2-amino-n-{[(2s)-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}butanimidic acid)

3D MOL for NP0298844 (2-amino-n-{[(2s)-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}butanimidic acid)

3D SDF for NP0298844 (2-amino-n-{[(2s)-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}butanimidic acid)

3D-SDF for NP0298844 (2-amino-n-{[(2s)-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}butanimidic acid)

PDB for NP0298844 (2-amino-n-{[(2s)-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}butanimidic acid)

3D PDB for NP0298844 (2-amino-n-{[(2s)-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}butanimidic acid)

SMILES for NP0298844 (2-amino-n-{[(2s)-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}butanimidic acid)

INCHI for NP0298844 (2-amino-n-{[(2s)-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}butanimidic acid)

Structure for NP0298844 (2-amino-n-{[(2s)-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}butanimidic acid)

3D Structure for NP0298844 (2-amino-n-{[(2s)-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}butanimidic acid)