Structure Information
Structure

Compound Identification

SMILES

CC1=C(OCCC2=CC=CC=N2)C=C(C=C1)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O

InChIKey

InChIKey=CTLSVCDMUMRQAL-KRWDZBQOSA-N

Formula

C21H28N6O3

Mass

412.494

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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 - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - P-toluamide - Toluamide - Phenol ether - Phenoxy compound - Benzoyl - Alkyl aryl ether - Toluene - Pyridine - Fatty amide - Fatty acyl - Heteroaromatic compound - Guanidine - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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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