Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC(N1CCC(CC1)NC1=NC=NC(NC2=CC(Br)=CC=C2)=C1)C(=O)OC

InChIKey

InChIKey=USRGRGHLWXJWQG-UHFFFAOYSA-N

Formula

C21H26BrN5O4

Mass

492.374

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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

Aspartic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aspartic acid or derivatives - Alpha-amino acid ester - Aniline or substituted anilines - Aminopyrimidine - Halobenzene - Fatty acid ester - Fatty acid methyl ester - Bromobenzene - Aryl bromide - Aryl halide - Dicarboxylic acid or derivatives - Piperidine - Pyrimidine - Fatty acyl - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

External Descriptors

Not available

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