Structure Information
Structure

Compound Identification

SMILES

C[C@@H](N(CC(O)=O)C(=O)C1=CC=C(C=C1)C(F)(F)F)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1

InChIKey

InChIKey=KVSOOUHSMRBEFX-LRTDBIEQSA-N

Formula

C22H19F5N4O4

Mass

498.41

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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 - Hippuric acids and derivatives

Direct Parent

Hippuric acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Phenylpropane - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - 1,2,4-triazole - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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