Structure Information
Structure

Compound Identification

SMILES

OC(=O)NCC1=CC=CC(=C1)C(=O)NC(CSCC1=CC=CC=C1)C(=O)NCC#N

InChIKey

InChIKey=FKUFHGTUAXOUOV-UHFFFAOYSA-N

Formula

C21H22N4O4S

Mass

426.49

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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 homomonocyclic compounds

Substituents

Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzoyl - Carbamic acid - Carbamic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Thioether - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic 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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