Compound Identification
SMILES
O=C(NC1=CC=CC=C1OC1=CN=CC=C1)[C@@H]1CCC[NH+]1C1CCSCC1
InChIKey
InChIKey=GXCZEFKOEAFQLH-IBGZPJMESA-O
Formula
C21H26N3O2S
Mass
384.52
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
Alpha amino acid amides Diarylethers Anilides N-arylamides Phenol ethers Phenoxy compounds Pyrrolidinecarboxamides Thianes N-alkylpyrrolidines Pyridines and derivatives Heteroaromatic compounds Quaternary ammonium salts Trialkylamines Secondary carboxylic acid amides Dialkylthioethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid amide - Diaryl ether - Anilide - N-arylamide - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Phenoxy compound - Phenol ether - Pyridine - Thiane - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Quaternary ammonium salt - Pyrrolidine - Heteroaromatic compound - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Ether - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - 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