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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
Aniline and substituted anilines Aminopyridines and derivatives Bromobenzenes Chlorobenzenes Primary aromatic amines Aryl bromides Aryl chlorides Cyclopropanecarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Shiff bases Secondary carboxylic acid amides Allylamines Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Enamines Organochlorides Organic oxides Carbonyl compounds Monoalkylamines Hydrocarbon derivatives Organobromides
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