Structure Information
Structure

Compound Identification

SMILES

CC(=O)N1C=C(C=C2N=C(OC2=O)C2=CC=CC=C2C)C2=C1C=CC(Br)=C2

InChIKey

InChIKey=BXYRAMAQKDLIEU-UHFFFAOYSA-N

Formula

C21H15BrN2O3

Mass

423.266

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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

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Indole - Indole or derivatives - Toluene - 4-hydrocarbylideneazlactone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Oxazoline - Acetamide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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