Structure Information
Structure

Compound Identification

SMILES

COC1=C(NCC=CC(=O)N(C)CC(=O)OC2CCCCC2)C=C2C(NC3=CC(Br)=CC=C3)=NC=NC2=C1

InChIKey

InChIKey=ARQSAMXOIHCPQZ-UHFFFAOYSA-N

Formula

C28H32BrN5O4

Mass

582.499

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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 - Quinazolinamine - Quinazoline - Methoxyaniline - Anisole - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-acyl-amine - Pyrimidine - Imidolactam - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary amine - Organoheterocyclic compound - Ether - Azacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organobromide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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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