Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(=O)C1(C2N1C1=C(C=CC(Cl)=C1)N=C2N(C)\N=C\C1=CC=C(Br)C=C1)C(=O)OC

InChIKey

InChIKey=YTJQSWALHYDUKC-OPEKNORGSA-N

Formula

C22H18BrClN4O5

Mass

533.76

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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 - Quinoxaline - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Fatty acid ester - Halobenzene - Bromobenzene - Beta-keto acid - Para-diazepine - Aryl bromide - Fatty acyl - Aryl chloride - Imidolactam - Dicarboxylic acid or derivatives - Aryl halide - Aziridinecarboxylic acid - Benzenoid - Alpha-keto acid - Monocyclic benzene moiety - Keto acid - Beta-aminoketone - Methyl ester - Alpha-aminoketone - Tertiary amine - Carboxylic acid ester - Ketone - Amidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aziridine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Carbonyl group - Organohalogen 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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