Structure Information
Structure

Compound Identification

SMILES

NCCCC(NC(=O)C1=CC=C(CNC2=C(C3=C(NC(N)=NC3=O)C=C2)C(F)(F)F)C=C1)C(O)=O

InChIKey

InChIKey=JZBLZTRTDODFAU-UHFFFAOYSA-N

Formula

C22H23F3N6O4

Mass

492.459

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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 heteropolycyclic compounds

Substituents

Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Quinazolinamine - Alpha-amino acid or derivatives - Quinazoline - Benzoyl - Benzylamine - Phenylmethylamine - Aminopyrimidine - Aralkylamine - Secondary aliphatic/aromatic amine - Pyrimidone - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic nitrogen compound - Carbonyl group - Alkyl halide - Organic oxide - Organic oxygen compound - Alkyl fluoride - Organooxygen compound - Amine - Primary amine - Aromatic heteropolycyclic 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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