Structure Information
Structure

Compound Identification

SMILES

COC1=C(C2=C(C=C1)C(C(=O)N[C@@H](CC(O)=O)C(O)=O)=C(F)C=C2)C(F)(F)F

InChIKey

InChIKey=QNZOSBJTDFIBJB-JTQLQIEISA-N

Formula

C17H13F4NO6

Mass

403.286

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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

Aspartic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Aspartic acid or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 1-naphthalenecarboxamide - 1-naphthalenecarboxylic acid or derivatives - Naphthalene - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Ether - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Alkyl halide - Organooxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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