Compound Identification
SMILES
CC(NC(=O)C1=CC2=NC(CC(N2N1)C(F)(F)F)C1=CC=C(Br)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=XQJXYERRVFJYSH-UHFFFAOYSA-N
Formula
C22H20BrF3N4O
Mass
493.328
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Pyrimidinecarboxamides Pyrazolopyrimidines Bromobenzenes Aryl bromides Hydropyrimidines Imidolactams Pyrazolines Pyrazoles Secondary carboxylic acid amides Amidrazones Amidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organobromides Alkyl fluorides Organofluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrazolopyrimidine - Pyrimidinecarboxamide - Halobenzene - Bromobenzene - Hydropyrimidine - Imidolactam - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Pyrimidine - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Pyrazoline - Pyrazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid amidrazone - Amidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Alkyl fluoride - Carbonyl group - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Organofluoride - 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