NP-MRD: Showing NP-Card for 2-{2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido}-n-[2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid (NP0227345)

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Record Information

Version

2.0

Created at

2022-09-06 06:38:31 UTC

Updated at

2022-09-06 06:38:31 UTC

NP-MRD ID

NP0227345

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-{2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido}-n-[2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid

Description

2-{2-[(1-Hydroxyethylidene)amino]-N,4-dimethylpentanamido}-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanimidic acid belongs to the class of organic compounds known as leucine and derivatives. Leucine and derivatives are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. 2-{2-[(1-Hydroxyethylidene)amino]-N,4-dimethylpentanamido}-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanimidic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241501322D          

 35 37  0  0  0  0            999 V2000
    8.0332   -5.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2231   -5.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6830   -5.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9531   -4.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4932   -3.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2231   -3.1029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4130   -2.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8729   -3.5707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1429   -2.1675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3033   -4.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5733   -4.8179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8434   -3.4147    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5733   -2.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6535   -3.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9236   -4.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7337   -4.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2738   -3.8825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0839   -4.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3540   -4.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8139   -5.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0037   -5.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9236   -2.1675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0037   -3.1029    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5438   -2.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3540   -2.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8941   -2.0116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7070   -1.2080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4133   -0.7818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0370   -1.3219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8556   -1.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3534   -1.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0324   -2.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2138   -2.7399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7160   -2.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 16 21  1  0  0  0  0
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 33 34  1  0  0  0  0
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 30 35  1  0  0  0  0
M  END

     RDKit          3D

 69 71  0  0  0  0  0  0  0  0999 V2000
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   -1.5067    0.3619   -1.2632 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3921    0.1841   -2.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2626    2.0952   -1.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5712    3.2220   -1.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2857    3.9247   -2.6476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721    4.9936   -3.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1696    5.3557   -2.2526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4547    4.6535   -1.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6520    3.5767   -0.7166 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8476   -0.2440   -1.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4258   -1.2528   -0.5616 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv1533004241501322D          

 35 37  0  0  0  0            999 V2000
    8.0332   -5.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2231   -5.2857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5733   -4.8179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9236   -4.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0227345

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CC(NC(C)=O)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)NC=CC1=CNC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C28H34N4O3/c1-19(2)16-25(31-20(3)33)28(35)32(4)26(17-21-10-6-5-7-11-21)27(34)29-15-14-22-18-30-24-13-9-8-12-23(22)24/h5-15,18-19,25-26,30H,16-17H2,1-4H3,(H,29,34)(H,31,33)

> <INCHI_KEY>
UTJKZLHQWWNPPP-UHFFFAOYSA-N

> <FORMULA>
C28H34N4O3

> <MOLECULAR_WEIGHT>
474.605

> <EXACT_MASS>
474.263090971

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
53.205254418768455

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-acetamido-N-(1-{[2-(1H-indol-3-yl)ethenyl]carbamoyl}-2-phenylethyl)-N,4-dimethylpentanamide

> <ALOGPS_LOGP>
3.87

> <JCHEM_LOGP>
3.4610376929999997

> <ALOGPS_LOGS>
-5.55

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.954846689700524

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.986433062238731

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7580471985465103

> <JCHEM_POLAR_SURFACE_AREA>
94.30000000000001

> <JCHEM_REFRACTIVITY>
137.6939

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.34e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-acetamido-N-(1-{[2-(1H-indol-3-yl)ethenyl]carbamoyl}-2-phenylethyl)-N,4-dimethylpentanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      14.995 -10.158   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.483  -9.867   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.475 -11.031   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.979  -8.411   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.987  -7.247   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      13.483  -5.792   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      11.971  -5.501   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      10.963  -6.665   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      11.467  -4.046   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      15.499  -7.538   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      16.004  -8.993   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      16.508  -6.374   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      16.004  -4.919   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.020  -6.665   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      18.524  -8.120   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      20.036  -8.411   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      21.044  -7.247   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      22.557  -7.538   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      23.061  -8.993   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      22.053 -10.158   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      20.540  -9.867   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      19.028  -5.501   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      18.524  -4.046   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0      20.540  -5.792   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      21.548  -4.628   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      23.061  -4.919   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      24.069  -3.755   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      23.720  -2.255   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      25.038  -1.459   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      26.202  -2.468   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      27.731  -2.277   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      28.660  -3.505   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      28.061  -4.924   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      26.532  -5.114   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      25.603  -3.886   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    5   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   22                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   16                                                       
CONECT   22   14   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   35                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   35                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   27   30                                                  
MASTER        0    0    0    0    0    0    0    0   35    0   74    0
END

View in JSmol

Synonyms

Value	Source
2-{2-[(1-hydroxyethylidene)amino]-N,4-dimethylpentanamido}-N-[2-(1H-indol-3-yl)ethenyl]-3-phenylpropanimidate	Generator

Chemical Formula

C₂₈H₃₄N₄O₃

Average Mass

474.6050 Da

Monoisotopic Mass

474.26309 Da

IUPAC Name

2-acetamido-N-(1-{[2-(1H-indol-3-yl)ethenyl]carbamoyl}-2-phenylethyl)-N,4-dimethylpentanamide

Traditional Name

2-acetamido-N-(1-{[2-(1H-indol-3-yl)ethenyl]carbamoyl}-2-phenylethyl)-N,4-dimethylpentanamide

CAS Registry Number

Not Available

SMILES

CC(C)CC(NC(C)=O)C(=O)N(C)C(CC1=CC=CC=C1)C(=O)NC=CC1=CNC2=CC=CC=C12

InChI Identifier

InChI=1S/C28H34N4O3/c1-19(2)16-25(31-20(3)33)28(35)32(4)26(17-21-10-6-5-7-11-21)27(34)29-15-14-22-18-30-24-13-9-8-12-23(22)24/h5-15,18-19,25-26,30H,16-17H2,1-4H3,(H,29,34)(H,31,33)

InChI Key

UTJKZLHQWWNPPP-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as leucine and derivatives. Leucine and derivatives are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Leucine and derivatives

Alternative Parents

Substituents

Leucine or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Amphetamine or derivatives
Indole
Indole or derivatives
Monocyclic benzene moiety
N-acyl-amine
Benzenoid
Substituted pyrrole
Heteroaromatic compound
Pyrrole
Tertiary carboxylic acid amide
Carboxamide group
Organic 1,3-dipolar compound
Organoheterocyclic compound
Azacycle
Carboximidic acid derivative
Carboximidic acid
Propargyl-type 1,3-dipolar organic compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Organic oxide
Organic oxygen compound
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
logP	3.87	ALOGPS
logP	3.46	ChemAxon
logS	-5.6	ALOGPS
pKa (Strongest Acidic)	12.99	ChemAxon
pKa (Strongest Basic)	-1.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	94.3 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	137.69 m³·mol⁻¹	ChemAxon
Polarizability	53.21 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-{2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido}-n-[2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid (NP0227345)

MOL for NP0227345 (2-{2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido}-n-[2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

3D MOL for NP0227345 (2-{2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido}-n-[2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

3D SDF for NP0227345 (2-{2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido}-n-[2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

3D-SDF for NP0227345 (2-{2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido}-n-[2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

PDB for NP0227345 (2-{2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido}-n-[2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

3D PDB for NP0227345 (2-{2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido}-n-[2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

SMILES for NP0227345 (2-{2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido}-n-[2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

INCHI for NP0227345 (2-{2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido}-n-[2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

Structure for NP0227345 (2-{2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido}-n-[2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

3D Structure for NP0227345 (2-{2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido}-n-[2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)