Compound Identification
SMILES
OC(=O)C(F)(F)F.O=C([C@@H]1CSC(N1)C1=CC=CC=C1)N1CCC[C@H]1C#N
InChIKey
InChIKey=STIPDLIYEPGMLL-HLMYEFCQSA-N
Formula
C17H18F3N3O3S
Mass
401.4
Taxonomic Classification
Taxonomy Tree
-
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
-
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
N-acylpyrrolidines Benzene and substituted derivatives Thiazolidines Tertiary carboxylic acid amides Alpha-halocarboxylic acids Tertiary amines Secondary amines Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Alkyl fluorides
Molecular Framework
Not available
Substituents
Alpha-amino acid or derivatives - N-acylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Pyrrolidine - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Tertiary amine - Organoheterocyclic compound - Carbonitrile - Secondary amine - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Nitrile - Dialkylthioether - Thioether - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic 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