Compound Identification
SMILES
CC1CCC2=C(C1)SC(NC(=O)COC(=O)CN1C3=CC=CC=C3N=C1C(F)(F)F)=C2C#N
InChIKey
InChIKey=HJGURCLTJYVIRR-UHFFFAOYSA-N
Formula
C22H19F3N4O3S
Mass
476.47
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
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
Benzimidazoles N-arylamides Benzenoids N-substituted imidazoles Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Benzimidazole - N-arylamide - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available