Compound Identification
SMILES
COC1=CC=CC(=C1)[C@H]1C[C@@H](N2NC(=CC2=N1)C(=O)NC1=C(C#N)C2=C(CCC2)S1)C(F)(F)F
InChIKey
InChIKey=HNMXXHUDVHSQKT-VQIMIIECSA-N
Formula
C23H20F3N5O2S
Mass
487.5
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
Pyrimidinecarboxamides Pyrazolopyrimidines Anisoles Methoxybenzenes Phenoxy compounds N-arylamides Alkyl aryl ethers Hydropyrimidines Imidolactams Thiophenes Heteroaromatic compounds Pyrazolines Pyrazoles Amidrazones Secondary carboxylic acid amides Amidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Pyrimidinecarboxamide - Pyrazolopyrimidine - Phenoxy compound - N-arylamide - Phenol ether - Methoxybenzene - Anisole - Alkyl aryl ether - Imidolactam - Benzenoid - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Monocyclic benzene moiety - Pyrimidine - Thiophene - Pyrazole - Pyrazoline - Heteroaromatic compound - Carboxylic acid amidrazone - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amidine - Ether - Nitrile - Carbonitrile - Azacycle - Alkyl halide - Hydrocarbon derivative - Organohalogen compound - Alkyl fluoride - Carbonyl group - Organic oxide - Cyanide - Organic nitrogen compound - Organofluoride - Organic oxygen compound - 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