Compound Identification
SMILES
FC(F)(F)[C@@H]1C[C@H](N=C2N1NC(C(=O)NC1=CC=C(C=C1)C#N)=C2Cl)C1=CC=CC=C1
InChIKey
InChIKey=INKFGWRTOADUOH-HOTGVXAUSA-N
Formula
C21H15ClF3N5O
Mass
445.83
Taxonomic Classification
Taxonomy Tree
-
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
Pyrimidinecarboxamides Pyrazolopyrimidines Anilides Benzonitriles N-arylamides Hydropyrimidines Imidolactams Vinylogous halides Pyrazolines Pyrazoles Amidrazones Secondary carboxylic acid amides Amidines Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Chloroalkenes Nitriles Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives Organochlorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrazolopyrimidine - Pyrimidinecarboxamide - Anilide - Benzonitrile - N-arylamide - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Benzenoid - Imidolactam - Vinylogous halide - Pyrazole - Pyrazoline - Carboxamide group - Carboxylic acid amidrazone - Secondary carboxylic acid amide - Vinyl chloride - Amidine - Chloroalkene - Haloalkene - Vinyl halide - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic nitrogen compound - Alkyl halide - Organofluoride - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Cyanide - Organic oxide - 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