Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)[C@H]1C[C@@H](N2NC(=CC2=N1)C(=O)NC1=C(O)C=CC(Cl)=C1)C(F)(F)F
InChIKey
InChIKey=XFPCTQBWBFIICT-BFUOFWGJSA-N
Formula
C22H20ClF3N4O4
Mass
496.87
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 Anisoles N-arylamides P-chlorophenols Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Imidolactams Hydropyrimidines Pyrazoles Pyrazolines Amidrazones Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Amidines Organic oxides Organochlorides Organofluorides Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Dimethoxybenzene - O-dimethoxybenzene - Pyrimidinecarboxamide - Pyrazolopyrimidine - Anilide - N-arylamide - Phenoxy compound - Phenol ether - 4-chlorophenol - 4-halophenol - Methoxybenzene - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidolactam - Benzenoid - Pyrimidine - Pyrazoline - Pyrazole - Secondary carboxylic acid amide - Carboxylic acid amidrazone - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Azacycle - Organoheterocyclic compound - Amidine - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organic oxygen 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