Compound Identification
SMILES
COC1=CC=C(C=C1)[C@@H]1C[C@H](N2NC(C(=O)N[C@@H](C)C3=CC=CC=C3)=C(Cl)C2=N1)C(F)(F)F
InChIKey
InChIKey=YWIJBJSMWWWAFZ-KKXDTOCCSA-N
Formula
C23H22ClF3N4O2
Mass
478.9
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
Pyrazolopyrimidines Pyrimidinecarboxamides Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Imidolactams Hydropyrimidines Pyrazolines Pyrazoles Vinylogous halides Amidrazones Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Chloroalkenes Vinyl chlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrazolopyrimidine - Pyrimidinecarboxamide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Pyrimidine - Benzenoid - Pyrazole - Pyrazoline - Vinylogous halide - Secondary carboxylic acid amide - Carboxylic acid amidrazone - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Amidine - Organic 1,3-dipolar compound - Ether - Azacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Alkyl halide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Alkyl fluoride - Carbonyl group - 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