Structure Information
Structure

Compound Identification

SMILES

CCNCCNC(CC(O)=O)C(=O)NC1=CC=C(Br)C=C1

InChIKey

InChIKey=ANRZGSZTRFXLKF-UHFFFAOYSA-N

Formula

C14H20BrN3O3

Mass

358.236

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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 homomonocyclic compounds

Substituents

Aspartic acid or derivatives - Alpha-amino acid amide - Anilide - N-arylamide - Halobenzene - Bromobenzene - Fatty amide - Aryl bromide - Aryl halide - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Monocarboxylic acid or derivatives - Secondary amine - Secondary aliphatic amine - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic homomonocyclic 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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