Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.O=C([C@@H]1CSC(N1)C1=CC=CC=C1)N1CCC[C@H]1C#N

InChIKey

InChIKey=STIPDLIYEPGMLL-HLMYEFCQSA-N

Formula

C17H18F3N3O3S

Mass

401.4

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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

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Alpha-amino acid or derivatives - N-acylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Pyrrolidine - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Tertiary amine - Organoheterocyclic compound - Carbonitrile - Secondary amine - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Nitrile - Dialkylthioether - Thioether - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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