Compound Identification
SMILES
CC1=CC(NC(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C2=CC=C(Cl)C=C2)=CC(C)=C1
InChIKey
InChIKey=ZKASTRDEZOOQCO-UHFFFAOYSA-N
Formula
C22H20ClF3N4O
Mass
448.87
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
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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
Anilides Pyrimidinecarboxamides Pyrazolopyrimidines m-Xylenes N-arylamides Chlorobenzenes Aryl chlorides Hydropyrimidines Imidolactams Pyrazolines Pyrazoles Secondary carboxylic acid amides Amidrazones Propargyl-type 1,3-dipolar organic compounds Amidines Azacyclic compounds Organofluorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrimidinecarboxamide - Pyrazolopyrimidine - Anilide - M-xylene - Xylene - N-arylamide - Halobenzene - Chlorobenzene - Imidolactam - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Pyrimidine - Pyrazole - Pyrazoline - Secondary carboxylic acid amide - Carboxylic acid amidrazone - Carboxamide group - Amidine - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alkyl halide - 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