Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H](CC1=CSC2=CC=CC=C12)NC(=O)C1=C(NS(=O)(=O)C2=CC=CC3=NC=CN=C23)C=C(Cl)C=C1

InChIKey

InChIKey=ZNDNKPRKDCBOGX-QFIPXVFZSA-N

Formula

C27H21ClN4O5S2

Mass

581.06

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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

Alpha-amino acid ester - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Quinoxaline - Sulfanilide - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzothiophene - 1-benzothiophene - Benzoyl - Chlorobenzene - Fatty acid ester - Halobenzene - Aryl chloride - Aryl halide - Fatty acyl - Pyrazine - Organosulfonic acid amide - Aminosulfonyl compound - Methyl ester - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organosulfur compound - 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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