Structure Information
Structure

Compound Identification

SMILES

CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=NC(=CS1)C1=CC(OC)=CC=C1

InChIKey

InChIKey=SKMGGGPZQRRMTG-DPLAEZHRSA-N

Formula

C21H29N3O8S2

Mass

515.6

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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 - Glycosyl compound - C-glycosyl compound - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Azole - Oxolane - Thiazole - Heteroaromatic compound - Organic sulfuric acid or derivatives - Secondary alcohol - 1,2-diol - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Carbonyl group - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Primary amine - Primary aliphatic amine - 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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