Structure Information
Structure

Compound Identification

SMILES

COC(=O)CN1C(CC(=O)NC2=CC=C(Br)C=C2)C(=O)N(C1=S)C1=CC=C(OC)C=C1

InChIKey

InChIKey=SWOJCHQAUGGBHO-UHFFFAOYSA-N

Formula

C21H20BrN3O5S

Mass

506.37

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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 heteromonocyclic compounds

Substituents

Alpha-amino acid ester - Phenylimidazolidine - N-phenylthiourea - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Imidazolidinone - Benzenoid - Monocyclic benzene moiety - Aryl halide - Imidazolidine - Methyl ester - Thiourea - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ether - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic 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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