Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(CCN(CC2=CC=CS2)C(=O)CN(C2CC2)C(=O)C2=CC(Br)=CC=C2)C=C1

InChIKey

InChIKey=ZEBZIVJISCQOLW-UHFFFAOYSA-N

Formula

C27H29BrN2O4S

Mass

557.5

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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 heteromonocyclic compounds

Substituents

Hippuric acid or derivatives - 3-halobenzoic acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Benzoyl - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Halobenzene - Bromobenzene - Alkyl aryl ether - Aryl halide - Aryl bromide - Thiophene - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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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