Compound Identification
SMILES
CCC[N+]1(CCC(C1C(S)=O)C1=CC=CC=C1)C(=O)C(=O)C(C)(C)CC
InChIKey
InChIKey=UIUFGGNKHDKLGU-UHFFFAOYSA-O
Formula
C21H30NO3S
Mass
376.53
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
Phenylpyrrolidines N-acylpyrrolidines Pyrrolidine carboxylic acids and derivatives Benzene and substituted derivatives N-alkylpyrrolidines Quaternary ammonium salts Pyrroles Ketones Carbothioic S-acids Carbodithioic acids Azacyclic compounds Alkylthiols Thiocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Proline or derivatives - 3-phenylpyrrolidine - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Monocyclic benzene moiety - N-alkylpyrrolidine - Benzenoid - Pyrrole - Pyrrolidine - Quaternary ammonium salt - Carbodithioic acid - Carbothioic s-acid - Ketone - Alkylthiol - Organoheterocyclic compound - Azacycle - Thiocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - 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