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Structure Information
Structure

Compound Identification

SMILES

[Br-].CCC(C)C(NC(=O)C1=CC=CC=C1SC(=O)CCCC[N+]1=CC=CC=C1)C(O)=O

InChIKey

InChIKey=YNCRTJMWHJSSBZ-UHFFFAOYSA-N

Formula

C23H29BrN2O4S

Mass

509.46

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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 - N-acyl-alpha-amino acid - Hippuric acid - Hippuric acid or derivatives - O-sulfanylbenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Thiophenol ester - Aryl thioether - Benzoyl - Fatty acyl thioester - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyridinium - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organic salt - Organopnictogen compound - Organic oxygen compound - Organic bromide salt - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - 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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