Structure Information
Structure

Compound Identification

SMILES

COC1=CC(Br)=C\C(=C\NNC(=O)C(C)NC2=CC=CC3=CC=CC=C23)C1=O

InChIKey

InChIKey=LQJCQXXXPVFBQF-QINSGFPZSA-N

Formula

C21H20BrN3O3

Mass

442.313

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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

Alanine and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Alanine or derivatives - Naphthalene - O-quinomethane - Quinomethane - Secondary aliphatic/aromatic amine - Benzenoid - Vinylogous amide - Carboxylic acid hydrazide - Ketone - Cyclic ketone - Bromoalkene - Haloalkene - Secondary amine - Vinyl bromide - Vinyl halide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine 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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