Structure Information
Structure

Compound Identification

SMILES

NC1=NC2=NC=C(CNC3=CC=C(C=C3)C(=O)NC(CCCC(O)=O)C(O)=O)C=C2C(N)=N1

InChIKey

InChIKey=BMAOTIKJUUEVAV-UHFFFAOYSA-N

Formula

C21H23N7O5

Mass

453.459

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Benzamides - Hippuric acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - Benzoyl - Medium-chain fatty acid - Aniline or substituted anilines - Phenylalkylamine - Aralkylamine - Amino fatty acid - Aminopyrimidine - Secondary aliphatic/aromatic amine - Heterocyclic fatty acid - Fatty acid - Imidolactam - Fatty acyl - Dicarboxylic acid or derivatives - Pyrimidine - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Amino acid - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxide - Primary amine - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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