Compound Identification
SMILES
OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)C2=NC=C(CC3=CC=CC=C3)S2)[C@H](C1)C1=CC=CC=C1
InChIKey
InChIKey=KLPCQOKCNZJSOQ-JIZBBPSKSA-N
Formula
C34H43N3O2S
Mass
557.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
D-alpha-amino acids 2,5-disubstituted thiazoles Aralkylamines Piperidines Benzene and substituted derivatives N-alkylpyrrolidines Pyrroles Heteroaromatic compounds Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - 2,5-disubstituted 1,3-thiazole - Aralkylamine - Monocyclic benzene moiety - Piperidine - N-alkylpyrrolidine - Benzenoid - Heteroaromatic compound - Thiazole - Pyrrole - Azole - Tertiary aliphatic amine - Tertiary amine - Amino acid - Amino acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available