Structure Information
Structure

Compound Identification

SMILES

BrC1=CC2=C(SCC[C@@H]2OC(=O)[C@H]2C[C@]3(C[NH2+]2)C(=O)NC2=CC=CC=C32)C=C1

InChIKey

InChIKey=OPUJSFZMYKHRTH-LLGFUMIMSA-O

Formula

C21H20BrN2O3S

Mass

460.37

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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

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid ester - Beta amino acid or derivatives - Thiochromane - 1-benzothiopyran - Benzothiopyran - Indole or derivatives - Dihydroindole - Aryl thioether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - Alkylarylthioether - Aryl bromide - Aryl halide - Benzenoid - Thiopyran - Pyrrolidine - Quaternary ammonium salt - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Secondary amine - Thioether - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Amine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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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