Compound Identification
SMILES
CCOC1=CC=C(NC(=O)C2=CC3=NC(CC(N3N2)C(F)(F)F)C2=CC=C(OC)C=C2)C=C1
InChIKey
InChIKey=WHLQLVOZVWEZCW-UHFFFAOYSA-N
Formula
C23H23F3N4O3
Mass
460.457
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 Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Imidolactams Hydropyrimidines Pyrazoles Pyrazolines Secondary carboxylic acid amides Amidrazones Amidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrazolopyrimidine - Anilide - Pyrimidinecarboxamide - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Pyrazoline - Pyrazole - Secondary carboxylic acid amide - Carboxylic acid amidrazone - Carboxamide group - Amidine - Azacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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