Structure Information
Structure

Compound Identification

SMILES

CC(C)(SCC1=CN=CC=C1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N

InChIKey

InChIKey=PWTRIZXLBXMDKV-MELADBBJSA-N

Formula

C16H21FN4OS

Mass

336.43

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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

Valine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Valine or derivatives - Alpha-amino acid amide - N-acylpyrrolidine - Pyridine - Pyrrolidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carbonitrile - Nitrile - Azacycle - Thioether - Sulfenyl compound - Dialkylthioether - Organoheterocyclic compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Cyanide - Primary aliphatic amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Aromatic heteromonocyclic compound

Description

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