Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)[C@H](NS(=O)(=O)C1=CC=C(Br)S1)C(=O)NCC1=CC=C(Cl)C=C1

InChIKey

InChIKey=OSSDXFDEXIRIEN-ZBEGNZNMSA-N

Formula

C17H20BrClN2O3S2

Mass

479.83

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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 - Alpha-amino acid amide - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Fatty acyl - Aryl chloride - Benzenoid - Aryl bromide - Organosulfonic acid amide - Aryl halide - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Heteroaromatic compound - Aminosulfonyl compound - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organobromide - Organochloride - 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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