Structure Information
Structure

Compound Identification

SMILES

COCCCN(CC(=O)N1CCC2=C(C=CS2)C1C1=C(Cl)C=C(Cl)C=C1)C(=O)C1=CC=C(F)C=C1

InChIKey

InChIKey=DVNVNSFWRKVFAC-UHFFFAOYSA-N

Formula

C26H25Cl2FN2O3S

Mass

535.46

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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 - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Thienopyridine - 1,3-dichlorobenzene - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl halide - Pyridine - Aryl chloride - Aryl fluoride - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen 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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