Structure Information
Structure

Compound Identification

SMILES

COC1=CC=CC=C1N1CCN(CC1)C(=O)CC1=CSC(NC(=O)CN(CC(C)C)C(=O)C2=CC=C(Cl)C=C2)=N1

InChIKey

InChIKey=MHKHBBFWIIKPCL-UHFFFAOYSA-N

Formula

C29H34ClN5O4S

Mass

584.13

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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 - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminophenyl ether - Methoxyaniline - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Halobenzene - Chlorobenzene - Piperazine - Aryl halide - Aryl chloride - 1,4-diazinane - Thiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - 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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