Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(NS(=O)(=O)C1=CC=C(C)C=C1)C(=O)OC1=C(C)C2=C(C=C1)C1=CC=CC=C1C(=O)O2

InChIKey

InChIKey=XHGOLVBCJCMCNG-UHFFFAOYSA-N

Formula

C27H27NO6S

Mass

493.57

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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 heteropolycyclic compounds

Substituents

Isoleucine or derivatives - Alpha-amino acid ester - P-toluenesulfonamide - Coumarin - Isocoumarin - Benzenesulfonamide - Benzopyran - Tosyl compound - 1-benzopyran - 2-benzopyran - Benzenesulfonyl group - Fatty acid ester - Pyranone - Toluene - Monocyclic benzene moiety - Pyran - Organosulfonic acid amide - Fatty acyl - Benzenoid - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic 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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