Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(CCN(CC2=CC=C(C)S2)C(=O)CN(C(C)C)C(=O)C2=C(Cl)C=C(C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=ABPSGDNHKHCFBE-UHFFFAOYSA-N

Formula

C28H32ClN3O6S

Mass

574.09

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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 - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Alpha-amino acid or derivatives - Nitrobenzene - Phenol ether - Methoxybenzene - Benzoyl - Anisole - Nitroaromatic compound - Phenoxy compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - 2,5-disubstituted thiophene - Aryl halide - Aryl chloride - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Vinylogous halide - Organic nitro compound - C-nitro compound - Carboxamide group - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Ether - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic salt - Organochloride - 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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