Compound Identification
SMILES
CC1=CC=C(S1)C(N1CCCC1C(O)=O)C1=C(Cl)C=CC(=C1)C(F)(F)F
InChIKey
InChIKey=NSUFXSDIWPAPDL-UHFFFAOYSA-N
Formula
C18H17ClF3NO2S
Mass
403.84
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
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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
Proline and derivatives
Alternative Parents
Trifluoromethylbenzenes Alpha amino acids Pyrrolidine carboxylic acids 2,5-disubstituted thiophenes Aralkylamines Chlorobenzenes Aryl chlorides N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Organochlorides Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid - Trifluoromethylbenzene - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aralkylamine - Aryl chloride - Benzenoid - Aryl halide - N-alkylpyrrolidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Pyrrolidine - Amino acid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organohalogen compound - Organochloride - Alkyl halide - Alkyl fluoride - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic 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