Structure Information
Structure

Compound Identification

SMILES

CC(=O)NC(CSC1=CC=CC(=C1)C(F)(F)F)C(=O)NCC1=CN=CC=C1

InChIKey

InChIKey=IUNUARPPVQXDLI-UHFFFAOYSA-N

Formula

C18H18F3N3O2S

Mass

397.42

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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 heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - Trifluoromethylbenzene - Aryl thioether - Thiophenol ether - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Aromatic heteromonocyclic 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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