Structure Information
Structure

Compound Identification

SMILES

N\C=C(/C=NC=C)C(=O)NC1(CC1)C(=O)NCC1=NC=C(NC2=C(Cl)C=C(Br)C=C2)C=C1

InChIKey

InChIKey=QKVSHUKWNUGPCO-ZDHDHSAUSA-N

Formula

C22H22BrClN6O2

Mass

517.81

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Aniline or substituted anilines - Aminopyridine - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Primary aromatic amine - Pyridine - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Shiff base - Secondary carboxylic acid amide - Aldimine - Allylamine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Enamine - Secondary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Imine - Primary aliphatic amine - Primary amine - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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