Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(CCCCNC(=O)NC1=CC=C(Br)C=C1)NS(=O)(=O)C1=CC=C(C)C=C1

InChIKey

InChIKey=APGAPRIGIUKPFL-UHFFFAOYSA-N

Formula

C21H26BrN3O5S

Mass

512.42

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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

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alpha-amino acid ester - P-toluenesulfonamide - N-phenylurea - Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Halobenzene - Toluene - Fatty acid ester - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Methyl ester - Urea - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

External Descriptors

Not available

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