Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)[C@H](NC[C@@H](N)CS)C(=O)N(C)CC1=CC=CC=C1

InChIKey

InChIKey=YHESQRAENCZKGC-IMJJTQAJSA-N

Formula

C17H29N3OS

Mass

323.5

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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

Aromatic homomonocyclic compounds

Substituents

Isoleucine or derivatives - Alpha-amino acid amide - Monocyclic benzene moiety - Benzenoid - N-acyl-amine - Tertiary carboxylic acid amide - Carboxamide group - Alkylthiol - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Aromatic homomonocyclic 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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