Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](CCN2N=NC(=N2)C2=CC=C(C=C2)C#CC2=CC=C(S2)[N+]([O-])=O)[C@H](O)[C@@H]1O

InChIKey

InChIKey=IKVRACLXDQLNDU-HKFKETPPSA-N

Formula

C26H31N7O9S2

Mass

649.69

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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 - Phenyltetrazole - Glycosyl compound - C-glycosyl compound - 2-nitrothiophene - Nitrothiophene - Nitroaromatic compound - 2,5-disubstituted thiophene - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Organic sulfuric acid or derivatives - Azole - Tetrahydrofuran - Thiophene - Heteroaromatic compound - Tetrazole - C-nitro compound - Organic nitro compound - Secondary alcohol - 1,2-diol - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Primary aliphatic amine - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Carbonyl group - Organic nitrogen compound - Organic zwitterion - 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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