Structure Information
Structure

Compound Identification

SMILES

CCCC(=O)NC(C(C)CC)C(=O)NC1=NN=C(S1)C1=CC=C(Br)C=C1

InChIKey

InChIKey=CDVZJYGYLVTIDR-UHFFFAOYSA-N

Formula

C18H23BrN4O2S

Mass

439.37

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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 - Alpha-amino acid amide - N-arylamide - Halobenzene - Bromobenzene - Aryl bromide - N-acyl-amine - Aryl halide - Fatty amide - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Thiadiazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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