Structure Information
Structure

Compound Identification

SMILES

CN(C)C1=CC=C(CN(CCC2=CNC3=CC=CC=C23)C(=O)CN(CC2=CC=CO2)C(=O)C2=C(Cl)C=C(C=C2)[N+]([O-])=O)C=C1

InChIKey

InChIKey=XPDRAVPTHYDBPG-UHFFFAOYSA-N

Formula

C33H32ClN5O5

Mass

614.1

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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 - Alpha-amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Substituted pyrrole - Heteroaromatic compound - Furan - Vinylogous halide - Tertiary carboxylic acid amide - Pyrrole - C-nitro compound - Organic nitro compound - Carboxamide group - Tertiary amine - Amino acid or derivatives - Carboxylic acid derivative - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Azacycle - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Oxacycle - Organoheterocyclic compound - Organic salt - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organochloride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Organic zwitterion - Organooxygen 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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