Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=SPVIMJIWZMZKGT-UHFFFAOYSA-N

Formula

C22H22BrN5O4S

Mass

532.41

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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 - Nitrobenzene - P-toluamide - Toluamide - Benzamide - Nitrotoluene - Benzoic acid or derivatives - Nitroaromatic compound - N-arylamide - Benzoyl - Toluene - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Organohalogen compound - Organic salt - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organic zwitterion - Organic oxygen compound - Organic oxide - Organooxygen 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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