Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@H](CNC(=O)C1=CC=CS1)NC(=O)C1=C(Cl)C=C(C=C1)C(=O)[C@H]1C[C@@H]1C1=CC=CC=C1

InChIKey

InChIKey=CSOHZBLCVMXJNN-HBFSDRIKSA-N

Formula

C25H21ClN2O5S

Mass

496.96

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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 - Hippuric acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Alkyl-phenylketone - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenylketone - Aryl alkyl ketone - Aryl ketone - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - 2-heteroaryl carboxamide - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous halide - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organochloride - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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