Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1CCCN1C(C1=CC2=CC=CC=C2S1)C1=CC=CC=C1C(F)(F)F

InChIKey

InChIKey=IPFWIKBDTOTSML-UHFFFAOYSA-N

Formula

C21H18F3NO2S

Mass

405.44

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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

Proline and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Proline or derivatives - Alpha-amino acid - Trifluoromethylbenzene - 1-benzothiophene - Benzothiophene - 2,3,5-trisubstituted thiophene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound

Description

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