Structure Information
Structure

Compound Identification

SMILES

NC1=C(C=C(C=C1)C(F)(F)F)C(=O)NCC(=O)N[C@H]1CCCC[C@H]1CS(=O)(=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=OHGKXJHCJMKGHQ-XOBRGWDASA-N

Formula

C23H25BrF3N3O4S

Mass

576.43

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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 homomonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Alpha-amino acid amide - Anthranilamide - N-substituted-alpha-amino acid - Trifluoromethylbenzene - Alpha-amino acid or derivatives - Aminobenzamide - 2-aminobenzamide - Aminobenzoic acid or derivatives - Benzenesulfonyl group - Aniline or substituted anilines - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Sulfonyl - Sulfone - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organofluoride - Organosulfur compound - Carbonyl group - Primary amine - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic homomonocyclic 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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