Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(NC(=O)C(C(C)CC)N2C(=O)C3=CC=CC=C3C2=O)SC(C)=C1C1=CC=C(Cl)C=C1

InChIKey

InChIKey=WNVWJAFGVPLSGK-UHFFFAOYSA-N

Formula

C28H27ClN2O5S

Mass

539.04

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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 - Phthalimide - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Thiophene carboxylic acid or derivatives - N-arylamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Carboxylic acid imide, n-substituted - Fatty acyl - Benzenoid - Vinylogous amide - Thiophene - Carboxylic acid imide - Heteroaromatic compound - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Carbonyl group - 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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