NP-MRD: Showing NP-Card for (2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido]-n-[(1z)-2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid (NP0324949)

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Record Information

Version

2.0

Created at

2022-09-12 05:20:10 UTC

Updated at

2022-09-12 05:20:10 UTC

NP-MRD ID

NP0324949

Secondary Accession Numbers

None

Natural Product Identification

Common Name

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

Description

Aspergillamide A belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Based on a literature review very few articles have been published on Aspergillamide A.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309122207202D          

 35 37  0  0  1  0            999 V2000
    6.9833   -1.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5234   -2.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3335   -2.1776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2533   -3.1131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7934   -3.7367    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5234   -4.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7132   -4.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432   -5.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1731   -4.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6035   -3.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8736   -2.8012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1436   -4.2044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8736   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9538   -4.0485    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4939   -4.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2238   -5.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7639   -6.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4939   -6.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6837   -7.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1436   -6.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4137   -5.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2238   -3.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6837   -2.6453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0340   -3.1131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5740   -3.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3842   -3.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -2.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1823   -2.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6800   -1.4666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4596   -1.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1819   -1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8882   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8723   -2.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -2.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4436   -2.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  4  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 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
 27 35  1  0  0  0  0
 30 35  1  0  0  0  0
M  END


  Mrv1652309122207202D          

 35 37  0  0  1  0            999 V2000
    6.9833   -1.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5234   -2.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3335   -2.1776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2533   -3.1131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7934   -3.7367    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5234   -4.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7132   -4.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4432   -5.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1731   -4.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6035   -3.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8736   -2.8012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1436   -4.2044    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8736   -4.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9538   -4.0485    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4939   -4.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2238   -5.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7639   -6.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4939   -6.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6837   -7.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1436   -6.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4137   -5.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2238   -3.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6837   -2.6453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0340   -3.1131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5740   -3.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3842   -3.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6542   -2.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1823   -2.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6800   -1.4666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4596   -1.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1819   -1.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8882   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8723   -2.5891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1500   -2.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4436   -2.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 12  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  4  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 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
 27 35  1  0  0  0  0
 30 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0324949

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C[C@H](N=C(C)O)C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(O)=N\C=C/C1=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)/b15-14-/t25-,26-/m0/s1

> <INCHI_KEY>
UTJKZLHQWWNPPP-JTVZBIPBSA-N

> <FORMULA>
C28H34N4O3

> <MOLECULAR_WEIGHT>
474.605

> <EXACT_MASS>
474.263090971

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
53.119020551444216

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-[(1-hydroxyethylidene)amino]-N,4-dimethylpentanamido]-N-[(Z)-2-(1H-indol-3-yl)ethenyl]-3-phenylpropanimidic acid

> <JCHEM_LOGP>
2.444602243733305

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
6.226651415508619

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.318103490663143

> <JCHEM_PKA_STRONGEST_BASIC>
11.700018629749305

> <JCHEM_POLAR_SURFACE_AREA>
101.28

> <JCHEM_REFRACTIVITY>
138.73730000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-[(1-hydroxyethylidene)amino]-N,4-dimethylpentanamido]-N-[(Z)-2-(1H-indol-3-yl)ethenyl]-3-phenylpropanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0      13.035  -3.192   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.044  -4.356   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      15.556  -4.065   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0      13.540  -5.811   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      14.548  -6.975   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.044  -8.430   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.531  -8.721   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.027 -10.177   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.523  -7.557   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.060  -6.684   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      16.564  -5.229   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      17.068  -7.848   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      16.564  -9.303   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      18.580  -7.557   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      19.589  -8.721   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      19.084 -10.177   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      20.093 -11.341   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      19.589 -12.796   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      18.076 -13.087   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      17.068 -11.923   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      17.572 -10.468   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      19.084  -6.102   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      18.076  -4.938   0.000  0.00  0.00           O+0
HETATM   24  N   UNK     0      20.597  -5.811   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      21.605  -6.975   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      23.117  -6.684   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      23.621  -5.229   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      22.740  -3.966   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      23.669  -2.738   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      25.124  -3.242   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      26.473  -2.498   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      27.791  -3.293   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      27.762  -4.833   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      26.413  -5.577   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      25.095  -4.781   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
Aspergillamide	MeSH

Chemical Formula

C₂₈H₃₄N₄O₃

Average Mass

474.6050 Da

Monoisotopic Mass

474.26309 Da

IUPAC Name

(2S)-2-[(2S)-2-[(1-hydroxyethylidene)amino]-N,4-dimethylpentanamido]-N-[(Z)-2-(1H-indol-3-yl)ethenyl]-3-phenylpropanimidic acid

Traditional Name

(2S)-2-[(2S)-2-[(1-hydroxyethylidene)amino]-N,4-dimethylpentanamido]-N-[(Z)-2-(1H-indol-3-yl)ethenyl]-3-phenylpropanimidic acid

CAS Registry Number

Not Available

SMILES

CC(C)C[C@H](N=C(C)O)C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(O)=N\C=C/C1=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)/b15-14-/t25-,26-/m0/s1

InChI Key

UTJKZLHQWWNPPP-JTVZBIPBSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Phenylalanine or derivatives
Leucine or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Amphetamine or derivatives
Indole or derivatives
Indole
Monocyclic benzene moiety
N-acyl-amine
Substituted pyrrole
Benzenoid
Fatty acyl
Fatty amide
Heteroaromatic compound
Pyrrole
Tertiary carboxylic acid amide
Acetamide
Carboxamide group
Secondary carboxylic acid amide
Organoheterocyclic compound
Azacycle
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Organonitrogen 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	2.44	ChemAxon
pKa (Strongest Acidic)	-2.3	ChemAxon
pKa (Strongest Basic)	11.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	101.28 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	138.74 m³·mol⁻¹	ChemAxon
Polarizability	53.12 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

C00026744

Chemspider ID

5292606

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6917355

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido]-n-[(1z)-2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid (NP0324949)

MOL for NP0324949 ((2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido]-n-[(1z)-2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

3D MOL for NP0324949 ((2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido]-n-[(1z)-2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

3D SDF for NP0324949 ((2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido]-n-[(1z)-2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

3D-SDF for NP0324949 ((2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido]-n-[(1z)-2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

PDB for NP0324949 ((2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido]-n-[(1z)-2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

3D PDB for NP0324949 ((2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido]-n-[(1z)-2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

SMILES for NP0324949 ((2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido]-n-[(1z)-2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

INCHI for NP0324949 ((2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido]-n-[(1z)-2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

Structure for NP0324949 ((2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido]-n-[(1z)-2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)

3D Structure for NP0324949 ((2s)-2-[(2s)-2-[(1-hydroxyethylidene)amino]-n,4-dimethylpentanamido]-n-[(1z)-2-(1h-indol-3-yl)ethenyl]-3-phenylpropanimidic acid)