Structure Information
Structure

Compound Identification

SMILES

CS(=O)(=O)C(CNC(=O)C1=CC=CC=C1F)C(=O)NCC#N

InChIKey

InChIKey=GOTJKGBUDSKCOE-UHFFFAOYSA-N

Formula

C13H14FN3O4S

Mass

327.33

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Beta amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl halide - Benzenoid - Aryl fluoride - Monocyclic benzene moiety - Vinylogous halide - Sulfonyl - Sulfone - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Cyanide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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