Structure Information
Structure

Compound Identification

SMILES

CC(SC1=CC=CC(NC(=O)C(\NC(=O)C2=CC=CC=C2)=C\C2=CC=C(Br)C=C2)=C1)C(=O)NC1=C(C#N)C2=C(CC(CC2)C2=CC=CC=C2)S1

InChIKey

InChIKey=WKNPSJSMXZVICM-IPHFVPNQSA-N

Formula

C40H33BrN4O3S2

Mass

761.75

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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

N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Cinnamic acid or derivatives - Cinnamic acid amide - Alpha-amino acid or derivatives - Anilide - Aryl thioether - Benzoyl - Thiophenol ether - N-arylamide - Halobenzene - Bromobenzene - Alkylarylthioether - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Thioether - Carbonitrile - Nitrile - Organosulfur compound - Cyanide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organic oxide - Hydrocarbon derivative - 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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