Structure Information
Structure

Compound Identification

SMILES

CC(O)[C@]1(Br)[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)OCC1=CC=CC=C1

InChIKey

InChIKey=SGPFDIUKJPIRKQ-KIAVFKAQSA-N

Formula

C17H20BrNO4S

Mass

414.31

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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 heteropolycyclic compounds

Substituents

Alpha-amino acid ester - Benzyloxycarbonyl - Penam - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Thiazolidine - Tertiary carboxylic acid amide - Azetidine - Bromohydrin - Carboxamide group - Carboxylic acid ester - Halohydrin - Secondary alcohol - Lactam - Azacycle - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alkyl halide - Carbonyl group - Alkyl bromide - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic 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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