Compound Identification
SMILES
C[C@@H](O)C1=CC(NC(=O)C2=CC3=N[C@H](C[C@@H](N3N2)C(F)(F)F)C2=CC=C(F)C=C2)=CC=C1
InChIKey
InChIKey=YGYQFEKLIBPQAD-QHLBDZCJSA-N
Formula
C22H20F4N4O2
Mass
448.422
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Anilides Pyrimidinecarboxamides Pyrazolopyrimidines N-arylamides Fluorobenzenes Aryl fluorides Hydropyrimidines Imidolactams Pyrazolines Pyrazoles Amidrazones Secondary alcohols Secondary carboxylic acid amides Amidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Aromatic alcohols Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrazolopyrimidine - Pyrimidinecarboxamide - Anilide - N-arylamide - Halobenzene - Fluorobenzene - 1,4,5,6-tetrahydropyrimidine - Aryl fluoride - Pyrimidine - Hydropyrimidine - Aryl halide - Benzenoid - Imidolactam - Monocyclic benzene moiety - Pyrazole - Pyrazoline - Carboxylic acid amidrazone - Secondary alcohol - Carboxamide group - Secondary carboxylic acid amide - Amidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alcohol - Organic nitrogen compound - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic alcohol - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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