Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(NC(=O)C1=C(Cl)C=C(C=C1)[N+]([O-])=O)C(=O)NC1=NN=C(S1)C1=CC(Cl)=CC=C1

InChIKey

InChIKey=WMELKCXZHDZQMI-UHFFFAOYSA-N

Formula

C21H19Cl2N5O4S

Mass

508.37

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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 - Hippuric acid or derivatives - Alpha-amino acid amide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Benzamide - Benzoic acid or derivatives - N-arylamide - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Fatty acyl - Fatty amide - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Vinylogous halide - Thiadiazole - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - C-nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organochloride - Organic zwitterion - Organic oxygen compound - Organic salt - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - 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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