Structure Information
Structure

Compound Identification

SMILES

CC1=NC(C)=C(OC2=CC(NC3=CC=CC(=C3)C(=O)NCC(N)=O)=NC=C2)C=C1

InChIKey

InChIKey=QTDXFHNCCYGDEV-UHFFFAOYSA-N

Formula

C21H21N5O3

Mass

391.431

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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 heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Diaryl ether - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Aminobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Methylpyridine - Aminopyridine - Imidolactam - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic 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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