Structure Information
Structure

Compound Identification

SMILES

CC(COC1=CC(CN)=C2COB(O)C2=C1)(NC(=O)C1=CC=C(OC(F)(F)F)C=C1)C(N)=O

InChIKey

InChIKey=OJVLCEPQERZFJX-UHFFFAOYSA-N

Formula

C20H21BF3N3O6

Mass

467.21

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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 - Alpha-amino acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Aralkylamine - Boronic acid ester - 1,2-oxaborole derivative - Secondary carboxylic acid amide - Primary carboxylic acid amide - Amino acid or derivatives - Boronic acid derivative - Carboxamide group - Trihalomethane - Organoheterocyclic compound - Organic metalloid salt - Oxacycle - Carboxylic acid derivative - Ether - Primary amine - Halomethane - Primary aliphatic amine - Organohalogen compound - Organic metalloid moeity - Organofluoride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxide - Alkyl fluoride - Amine - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - 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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