Compound Identification
SMILES
NC(=O)[C@@H]1CCC[N@+]1([C@H](C1=CN=CC=C1)C(F)(F)F)C(=O)CSC1=NN=NN1C1=CC=CC=C1
InChIKey
InChIKey=CIEDRENMWSSIEX-KGGRTRCXSA-O
Formula
C21H21F3N7O2S
Mass
492.5
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
Alpha amino acid amides Phenyltetrazoles and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines Alkylarylthioethers Benzene and substituted derivatives Pyridines and derivatives N-alkylpyrrolidines Quaternary ammonium salts Heteroaromatic compounds Primary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid amide - Phenyltetrazole - Aryl thioether - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Pyridine - N-alkylpyrrolidine - Azole - Heteroaromatic compound - Pyrrolidine - Tetrazole - Quaternary ammonium salt - Carboxamide group - Primary carboxylic acid amide - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Alkyl fluoride - Alkyl halide - Organic cation - 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