Compound Identification
SMILES
OC(=O)C1CCCN1C(C1=CC2=CC=CC=C2S1)C1=CC=CC=C1C(F)(F)F
InChIKey
InChIKey=IPFWIKBDTOTSML-UHFFFAOYSA-N
Formula
C21H18F3NO2S
Mass
405.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Proline and derivatives
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Level 6
Alpha amino acids and derivatives
-
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
Proline and derivatives
Alternative Parents
Trifluoromethylbenzenes Alpha amino acids 1-benzothiophenes Pyrrolidine carboxylic acids 2,3,5-trisubstituted thiophenes Aralkylamines N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Amino acids Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid - Trifluoromethylbenzene - 1-benzothiophene - Benzothiophene - 2,3,5-trisubstituted thiophene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Aralkylamine - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available