Structure Information
Structure

Compound Identification

SMILES

NC(=O)C[C@H](NC(=O)OCC1=CC2=CC=CC=C2S1(=O)=O)C(=O)OC1=C(F)C(F)=C(F)C(F)=C1F

InChIKey

InChIKey=MRMKWWXFYKFXHE-JTQLQIEISA-N

Formula

C20H13F5N2O7S

Mass

520.38

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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

Asparagine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Asparagine or derivatives - Alpha-amino acid ester - Phenol ester - Phenoxy compound - Halobenzene - Fluorobenzene - Fatty acid ester - Aryl fluoride - Aryl halide - Fatty amide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Sulfone - Carbamic acid ester - Primary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as asparagine and derivatives. These are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine 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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