NP-MRD: Showing NP-Card for 2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid (NP0209033)

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Record Information

Version

2.0

Created at

2022-09-05 06:16:56 UTC

Updated at

2022-09-05 06:16:57 UTC

NP-MRD ID

NP0209033

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid

Description

2-{[1-Hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoic acid belongs to the class of organic compounds known as depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating. 2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid is found in Streptomyces caniferus. Based on a literature review very few articles have been published on 2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052208162D          

 37 37  0  0  0  0            999 V2000
    3.1895   -9.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -8.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -7.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145   -7.9993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -7.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -6.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -5.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -5.8559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895   -5.1414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -5.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3020   -2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9355   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1895   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4270   -2.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2520   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
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  5  3  1  4  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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  9 10  1  4  0  0  0
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 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 16 18  1  0  0  0  0
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 18 20  2  0  0  0  0
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 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 32 37  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309052208162D          

 37 37  0  0  0  0            999 V2000
    3.1895   -9.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -8.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2520   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  4  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  4  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 20 21  1  4  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 21 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 10 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 32 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0209033

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC=C(C)C=CC(O)=NC(C(C)C1=CC=CC=C1)C(=O)OC(C)C(C)C(O)=NC(CCC(O)=N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H37N3O7/c1-6-16(2)12-15-23(32)30-24(18(4)20-10-8-7-9-11-20)27(36)37-19(5)17(3)25(33)29-21(26(34)35)13-14-22(28)31/h6-12,15,17-19,21,24H,13-14H2,1-5H3,(H2,28,31)(H,29,33)(H,30,32)(H,34,35)

> <INCHI_KEY>
JWYOWJRAJBVKBT-UHFFFAOYSA-N

> <FORMULA>
C27H37N3O7

> <MOLECULAR_WEIGHT>
515.607

> <EXACT_MASS>
515.263150543

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
55.50721676740528

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoic acid

> <JCHEM_LOGP>
1.9779758918552928

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.576228817252169

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.45267093212371723

> <JCHEM_PKA_STRONGEST_BASIC>
12.88667241469113

> <JCHEM_POLAR_SURFACE_AREA>
172.85999999999999

> <JCHEM_REFRACTIVITY>
150.38989999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       5.954 -17.599   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.184 -16.266   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.954 -14.932   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.494 -14.932   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.184 -13.598   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.954 -12.265   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.184 -10.931   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       3.644 -10.931   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0       5.954  -9.597   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       5.184  -8.264   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.644  -8.264   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.874  -9.597   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       2.874  -6.930   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.564  -8.264   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.564  -5.596   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -4.263   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.976  -5.596   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.746  -6.930   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0      -1.746  -4.263   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      -3.286  -4.263   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.056  -2.929   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -5.596  -2.929   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.366  -1.595   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      -7.906  -1.595   0.000  0.00  0.00           N+0
HETATM   26  O   UNK     0      -5.596  -0.262   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -4.056  -5.596   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -3.286  -6.930   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -5.596  -5.596   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       5.954  -6.930   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.184  -5.596   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.494  -6.930   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.264  -5.596   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.804  -5.596   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.574  -6.930   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       9.804  -8.264   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.264  -8.264   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   30                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   27                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   21   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27                                                            
CONECT   30   10   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   37                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   32                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   74    0
END

View in JSmol

Synonyms

Value	Source
2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoate	Generator

Chemical Formula

C₂₇H₃₇N₃O₇

Average Mass

515.6070 Da

Monoisotopic Mass

515.26315 Da

IUPAC Name

2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoic acid

Traditional Name

2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(C-hydroxycarbonimidoyl)butanoic acid

CAS Registry Number

Not Available

SMILES

CC=C(C)C=CC(O)=NC(C(C)C1=CC=CC=C1)C(=O)OC(C)C(C)C(O)=NC(CCC(O)=N)C(O)=O

InChI Identifier

InChI=1S/C27H37N3O7/c1-6-16(2)12-15-23(32)30-24(18(4)20-10-8-7-9-11-20)27(36)37-19(5)17(3)25(33)29-21(26(34)35)13-14-22(28)31/h6-12,15,17-19,21,24H,13-14H2,1-5H3,(H2,28,31)(H,29,33)(H,30,32)(H,34,35)

InChI Key

JWYOWJRAJBVKBT-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 caniferus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids), commonly but not necessarily regularly alternating.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Depsipeptides

Direct Parent

Depsipeptides

Alternative Parents

Substituents

Depsipeptide
Glutamine or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid ester
Alpha-amino acid or derivatives
Fatty acid ester
Fatty acyl
Benzenoid
N-acyl-amine
Fatty amide
Dicarboxylic acid or derivatives
Monocyclic benzene moiety
Secondary carboxylic acid amide
Primary carboxylic acid amide
Carboxylic acid ester
Carboxamide group
Carboxylic acid
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic 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	1.98	ChemAxon
pKa (Strongest Acidic)	-0.45	ChemAxon
pKa (Strongest Basic)	12.89	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	172.86 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	150.39 m³·mol⁻¹	ChemAxon
Polarizability	55.51 Å³	ChemAxon
Number of Rings	1	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

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

162815265

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid (NP0209033)

MOL for NP0209033 (2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

3D MOL for NP0209033 (2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

3D SDF for NP0209033 (2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

3D-SDF for NP0209033 (2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

PDB for NP0209033 (2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

3D PDB for NP0209033 (2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

SMILES for NP0209033 (2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

INCHI for NP0209033 (2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

Structure for NP0209033 (2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)

3D Structure for NP0209033 (2-{[1-hydroxy-3-({2-[(1-hydroxy-4-methylhexa-2,4-dien-1-ylidene)amino]-3-phenylbutanoyl}oxy)-2-methylbutylidene]amino}-4-(c-hydroxycarbonimidoyl)butanoic acid)