NP-MRD: Showing NP-Card for 3-{[(1r,3r)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid (NP0236563)

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Record Information

Version

1.0

Created at

2022-09-06 19:29:31 UTC

Updated at

2022-09-06 19:29:31 UTC

NP-MRD ID

NP0236563

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-{[(1r,3r)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid

Description

(1R)-3,4,6,9-Tetrahydro-1beta-(3-methylbutyl)-6,9-dioxo-7-(methylamino)-8-[[2-(acetylamino)-3-oxo-3-hydroxypropyl]thio]-10-hydroxy-1H-naphtho[2,3-c]pyran-3beta-acetic acid belongs to the class of organic compounds known as isochromanequinones. These are polycyclic compounds containing an isochromanequinone, which is structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton. Based on a literature review very few articles have been published on (1R)-3,4,6,9-Tetrahydro-1beta-(3-methylbutyl)-6,9-dioxo-7-(methylamino)-8-[[2-(acetylamino)-3-oxo-3-hydroxypropyl]thio]-10-hydroxy-1H-naphtho[2,3-c]pyran-3beta-acetic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062221292D          

 38 40  0  0  1  0            999 V2000
   -4.2868   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309062221292D          

 38 40  0  0  1  0            999 V2000
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  3  4  2  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
  8  7  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  4 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
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 24 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 31 36  1  0  0  0  0
 20 36  1  0  0  0  0
 18 37  1  0  0  0  0
  3 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0236563

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CNC1=C(SCC(N=C(C)O)C(O)=O)C(=O)C2=C(C=C3C[C@H](CC(O)=O)O[C@H](CCC(C)C)C3=C2O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H32N2O9S/c1-11(2)5-6-17-19-13(7-14(37-17)9-18(30)31)8-15-20(23(19)33)24(34)25(21(27-4)22(15)32)38-10-16(26(35)36)28-12(3)29/h8,11,14,16-17,27,33H,5-7,9-10H2,1-4H3,(H,28,29)(H,30,31)(H,35,36)/t14-,16?,17-/m1/s1

> <INCHI_KEY>
OGFKCFDHVVBHKQ-NZIKIWFDSA-N

> <FORMULA>
C26H32N2O9S

> <MOLECULAR_WEIGHT>
548.61

> <EXACT_MASS>
548.182851792

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
57.07853788403567

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-{[(1R,3R)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1H,3H,4H,6H,9H-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid

> <JCHEM_LOGP>
2.5767636083333327

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.788855815823277

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.992227522537241

> <JCHEM_PKA_STRONGEST_BASIC>
0.2845381562811601

> <JCHEM_POLAR_SURFACE_AREA>
182.82

> <JCHEM_REFRACTIVITY>
141.2817

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-{[(1R,3R)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1H,3H,4H-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

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      -8.002  -6.160   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      -6.668  -6.930   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      -6.668  -8.470   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    5  S   UNK     0      -4.001  -8.470   0.000  0.00  0.00           S+0
HETATM    6  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.667  -6.160   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      -2.667  -4.620   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      -1.334  -3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       0.000  -6.160   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -1.334  -8.470   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -5.335 -10.780   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -4.001 -11.550   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -8.002 -10.780   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -9.336 -11.550   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -9.336 -13.090   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -6.668 -13.090   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -5.335 -13.860   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -8.002 -15.400   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -6.668 -16.170   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -6.668 -17.710   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.335 -18.480   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.001 -17.710   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -5.335 -20.020   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -9.336 -16.170   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0     -10.669 -15.400   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -12.003 -16.170   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0     -13.337 -15.400   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0     -14.670 -16.170   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0     -13.337 -13.860   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0     -10.669 -13.860   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -9.336  -8.470   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   37                                                  
CONECT    4    3    5   15                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    7   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    4   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   22                                                  
CONECT   18   17   19   37                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   36                                                  
CONECT   21   20   22   24                                                  
CONECT   22   21   17   23                                                  
CONECT   23   22                                                            
CONECT   24   21   25   30                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   24   31                                                       
CONECT   31   30   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   31   20                                                       
CONECT   37   18    3   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   80    0
END

View in JSmol

Synonyms

Value	Source
(1R)-3,4,6,9-Tetrahydro-1b-(3-methylbutyl)-6,9-dioxo-7-(methylamino)-8-[[2-(acetylamino)-3-oxo-3-hydroxypropyl]thio]-10-hydroxy-1H-naphtho[2,3-c]pyran-3b-acetate	Generator
(1R)-3,4,6,9-Tetrahydro-1b-(3-methylbutyl)-6,9-dioxo-7-(methylamino)-8-[[2-(acetylamino)-3-oxo-3-hydroxypropyl]thio]-10-hydroxy-1H-naphtho[2,3-c]pyran-3b-acetic acid	Generator
(1R)-3,4,6,9-Tetrahydro-1beta-(3-methylbutyl)-6,9-dioxo-7-(methylamino)-8-[[2-(acetylamino)-3-oxo-3-hydroxypropyl]thio]-10-hydroxy-1H-naphtho[2,3-c]pyran-3beta-acetate	Generator
(1R)-3,4,6,9-Tetrahydro-1β-(3-methylbutyl)-6,9-dioxo-7-(methylamino)-8-[[2-(acetylamino)-3-oxo-3-hydroxypropyl]thio]-10-hydroxy-1H-naphtho[2,3-c]pyran-3β-acetate	Generator
(1R)-3,4,6,9-Tetrahydro-1β-(3-methylbutyl)-6,9-dioxo-7-(methylamino)-8-[[2-(acetylamino)-3-oxo-3-hydroxypropyl]thio]-10-hydroxy-1H-naphtho[2,3-c]pyran-3β-acetic acid	Generator

Chemical Formula

C₂₆H₃₂N₂O₉S

Average Mass

548.6100 Da

Monoisotopic Mass

548.18285 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CNC1=C(SCC(N=C(C)O)C(O)=O)C(=O)C2=C(C=C3C[C@H](CC(O)=O)O[C@H](CCC(C)C)C3=C2O)C1=O

InChI Identifier

InChI=1S/C26H32N2O9S/c1-11(2)5-6-17-19-13(7-14(37-17)9-18(30)31)8-15-20(23(19)33)24(34)25(21(27-4)22(15)32)38-10-16(26(35)36)28-12(3)29/h8,11,14,16-17,27,33H,5-7,9-10H2,1-4H3,(H,28,29)(H,30,31)(H,35,36)/t14-,16?,17-/m1/s1

InChI Key

OGFKCFDHVVBHKQ-NZIKIWFDSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isochromanequinones. These are polycyclic compounds containing an isochromanequinone, which is structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isochromanequinones

Sub Class

Not Available

Direct Parent

Isochromanequinones

Alternative Parents

Substituents

Isochromanequinone
Naphthopyranone
Naphthopyran
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Cysteine or derivatives
Naphthoquinone
2-benzopyran
Naphthalene
Isochromane
Benzopyran
Alpha-amino acid or derivatives
Aryl ketone
Quinone
1-hydroxy-4-unsubstituted benzenoid
Pyranone
Vinylogous thioester
Benzenoid
Pyran
Dicarboxylic acid or derivatives
Vinylogous amide
Vinylogous acid
Amino acid
Thioenolether
Ketone
Amino acid or derivatives
Oxacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Sulfenyl compound
Secondary amine
Ether
Enamine
Secondary aliphatic amine
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Carboximidic acid derivative
Carboximidic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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

78440284

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

100960120

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-{[(1r,3r)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid (NP0236563)

MOL for NP0236563 (3-{[(1r,3r)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid)

3D MOL for NP0236563 (3-{[(1r,3r)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid)

3D SDF for NP0236563 (3-{[(1r,3r)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid)

3D-SDF for NP0236563 (3-{[(1r,3r)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid)

PDB for NP0236563 (3-{[(1r,3r)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid)

3D PDB for NP0236563 (3-{[(1r,3r)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid)

SMILES for NP0236563 (3-{[(1r,3r)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid)

INCHI for NP0236563 (3-{[(1r,3r)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid)

Structure for NP0236563 (3-{[(1r,3r)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid)

3D Structure for NP0236563 (3-{[(1r,3r)-3-(carboxymethyl)-10-hydroxy-7-(methylamino)-1-(3-methylbutyl)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-8-yl]sulfanyl}-2-[(1-hydroxyethylidene)amino]propanoic acid)