Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(NC(=O)CC(C)C)C(=O)NC1=NN=C(S1)C1=CC(OC)=CC=C1

InChIKey

InChIKey=OAYXWKFOMHNMAZ-UHFFFAOYSA-N

Formula

C20H28N4O3S

Mass

404.53

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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 heteromonocyclic compounds

Substituents

Isoleucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenol ether - N-arylamide - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - N-acyl-amine - Fatty acyl - Fatty amide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiadiazole - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic 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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