Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C(NC(=O)C1=CC(Cl)=CC=C1)(NC1=C(C(=O)OC)C2=C(CCCC2)S1)C(F)(F)F

InChIKey

InChIKey=JRIWVHXDYWPAIV-UHFFFAOYSA-N

Formula

C22H22ClF3N2O5S

Mass

518.93

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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

Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - Thiophene carboxylic acid or derivatives - Halobenzene - Chlorobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - 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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