Structure Information
Structure

Compound Identification

SMILES

CC(C)C(NC(=O)C1=CC=CC=C1Cl)C(=O)NN=CC1=CN(CC2=CC=C(F)C=C2)C2=CC=CC=C12

InChIKey

InChIKey=HKRPBPAGFQHZFS-UHFFFAOYSA-N

Formula

C28H26ClFN4O2

Mass

504.99

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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

Valine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-alkylindole - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Indole - Indole or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl fluoride - Aryl chloride - Aryl halide - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organochloride - 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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