Structure Information
Structure

Compound Identification

SMILES

CC(C)C(NC(=O)C1=C(F)C=CC=C1F)C(=O)OCN1C(=O)C2=CC=CC=C2C1=O

InChIKey

InChIKey=AKQBRDJVWDQPMS-UHFFFAOYSA-N

Formula

C21H18F2N2O5

Mass

416.381

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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

Alpha-amino acid ester - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Phthalimide - Alpha-amino acid or derivatives - Isoindolone - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Isoindole or derivatives - Isoindole - Isoindoline - Benzoyl - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Carboxylic acid imide, n-substituted - Aryl halide - Fatty acyl - Carboxylic acid imide - Vinylogous halide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen 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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