Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=CC=C1N1CCC(CC1)N1CC[C@H](C1)NC(=O)CNC(=O)C1=CC(=CC=C1)C(F)(F)F

InChIKey

InChIKey=WRGPGLNOWROYAZ-HXUWFJFHSA-N

Formula

C27H31F3N4O4

Mass

532.564

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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 heteromonocyclic compounds

Substituents

Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenylpiperidine - N-substituted-alpha-amino acid - Trifluoromethylbenzene - Alpha-amino acid or derivatives - Aminobenzoic acid or derivatives - Benzoate ester - Aniline or substituted anilines - Dialkylarylamine - Benzoyl - 4-aminopiperidine - N-alkylpyrrolidine - Piperidine - Vinylogous amide - Methyl ester - Pyrrolidine - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid ester - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Alkyl fluoride - Alkyl halide - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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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