Compound Identification
SMILES
COC1=C(OC)C=C(NC(=O)C2=C(Cl)C3=NC(CC(N3N2)C(F)(F)F)C2=CC=C(C)C=C2)C=C1
InChIKey
InChIKey=NONSSPJPAXSKMG-UHFFFAOYSA-N
Formula
C23H22ClF3N4O3
Mass
494.9
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
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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
Dimethoxybenzenes Anilides Pyrimidinecarboxamides Pyrazolopyrimidines Methoxyanilines Anisoles Phenoxy compounds N-arylamides Alkyl aryl ethers Toluenes Hydropyrimidines Imidolactams Vinylogous halides Pyrazolines Pyrazoles Secondary carboxylic acid amides Amidrazones Propargyl-type 1,3-dipolar organic compounds Amidines Chloroalkenes Azacyclic compounds Vinyl chlorides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Pyrazolopyrimidine - Methoxyaniline - Anilide - Pyrimidinecarboxamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Benzenoid - Imidolactam - Vinylogous halide - Pyrazoline - Pyrazole - Secondary carboxylic acid amide - Carboxylic acid amidrazone - Carboxamide group - Vinyl halide - Vinyl chloride - Haloalkene - Chloroalkene - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amidine - Organoheterocyclic compound - Ether - Organic oxygen compound - Alkyl fluoride - Alkyl halide - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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