Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCC[C@H](NC(=O)C1=CC(C)=C(C=C1)N(O)CC1=CN=C2N=C(N)N=C(N)C2=N1)C(=O)OC

InChIKey

InChIKey=QXOYFQJRCXIPQG-HNNXBMFYSA-N

Formula

C23H28N8O6

Mass

512.527

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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

Direct Parent

Hippuric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid or derivatives - Pteridine - M-toluamide - Toluamide - N-phenylhydroxylamine - 1-hydroxylamino, 2-unsubstituted benzenoid - Benzoyl - Aminopyrimidine - Fatty acid ester - Toluene - Fatty acid methyl ester - Dicarboxylic acid or derivatives - Fatty acyl - Pyrazine - Pyrimidine - Imidolactam - Methyl ester - Heteroaromatic compound - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid ester - Azacycle - N-organohydroxylamine - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen 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

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