Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=BEEXXHBYJPWAHE-UHFFFAOYSA-N

Formula

C21H24N8O5

Mass

468.474

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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 - Pteridine - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Medium-chain fatty acid - Amino fatty acid - Aminopyrimidine - Heterocyclic fatty acid - Aralkylamine - Secondary aliphatic/aromatic amine - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Pyrazine - Pyrimidine - Imidolactam - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Amino acid or derivatives - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Primary amine - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxygen 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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