Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OCC2=CC3=C(OCO3)C=C2)C=CC(C=NNC(=O)C(NC(=O)C2=C(Cl)C=C(Cl)C=C2)C(C)C)=C1

InChIKey

InChIKey=ISSNJOFUOSZDLK-UHFFFAOYSA-N

Formula

C29H29Cl2N3O6

Mass

586.47

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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

Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Valine or derivatives - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Benzodioxole - 1,3-dichlorobenzene - Phenol ether - Benzoyl - Phenoxy compound - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl halide - Aryl chloride - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Acetal - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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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