Structure Information
Structure

Compound Identification

SMILES

CCC(C)[C@H](N)C(=O)N1CSC[C@H]1C#N

InChIKey

InChIKey=BWANRCSDHKJPDC-ASODMVGOSA-N

Formula

C10H17N3OS

Mass

227.33

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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 - Alpha amino acids and derivatives

Direct Parent

Isoleucine and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteromonocyclic compounds

Substituents

Isoleucine or derivatives - Alpha-amino acid amide - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Tertiary amine - Carbonitrile - Nitrile - Thioether - Hemithioaminal - Dialkylthioether - Organoheterocyclic compound - Azacycle - Cyanide - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxygen compound - Primary aliphatic amine - Aliphatic heteromonocyclic compound

Description

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