Structure Information
Structure

Compound Identification

SMILES

NC1=NC2=NC=C(CNC3=CC=C(C=C3)C(=O)N[C@@H](CCCCNC(=O)C3=CC=CC=C3C(O)=O)C(O)=O)N=C2C(N)=N1

InChIKey

InChIKey=LZWQNHLDOZAEHC-FQEVSTJZSA-N

Formula

C28H29N9O6

Mass

587.597

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