Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(C=CC=C1F)C1=CC(F)=C(CNC(=O)C2(CC2)NC(=O)C(F)Cl)C=C1

InChIKey

InChIKey=LDTYTPPYJNRGKI-UHFFFAOYSA-N

Formula

C21H18ClF3N2O4

Mass

454.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives - Alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Biphenyl - Benzoate ester - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Cyclopropanecarboxylic acid or derivatives - Vinylogous halide - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Alkyl chloride - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organofluoride - Organic oxide - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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