Structure Information
Structure

Compound Identification

SMILES

CCC(C)[C@@H](CN(C)[C@@H](C(C)CC)C(=O)N[C@@H](CCSC)C(O)=O)NC[C@@H](N)CS

InChIKey

InChIKey=WOMLPRIYJFYGGD-BLUBZBIGSA-N

Formula

C21H44N4O3S2

Mass

464.73

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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 acyclic compounds

Substituents

Isoleucine or derivatives - Methionine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - Branched fatty acid - Thia fatty acid - Fatty amide - N-acyl-amine - Fatty acid - Fatty acyl - Tertiary aliphatic amine - Carboxamide group - Amino acid - Tertiary amine - Secondary carboxylic acid amide - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Alkylthiol - Secondary amine - Carbonyl group - Primary aliphatic amine - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic nitrogen compound - Aliphatic acyclic 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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