Compound Identification
SMILES
COC(=O)[C@H](CCCNC(=O)C1=CN=C(C=C1)C(=O)OC)NC(=O)C1=CC=C(CCC2=CNC3=C2C(N)=NC(N)=N3)C=C1
InChIKey
InChIKey=VYBIKJXHNRVIHM-NRFANRHFSA-N
Formula
C29H32N8O6
Mass
588.625
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
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Level 5
Benzamides
- Level 6 Hippuric acids and derivatives
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Level 5
Benzamides
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
Hippuric acids and derivatives
Alternative Parents
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Pyrrolo[2,3-d]pyrimidines Pyridinecarboxylic acids Nicotinamides Benzoyl derivatives Aminopyrimidines and derivatives Fatty acid esters Substituted pyrroles Imidolactams Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Pyrrolo[2,3-d]pyrimidine - Nicotinamide - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyrrolopyrimidine - Benzoyl - Aminopyrimidine - Fatty acid ester - Fatty acyl - Imidolactam - Pyridine - Pyrimidine - Substituted pyrrole - Methyl ester - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Primary amine - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.
External Descriptors
Not available