C18H21NO5S
1-(3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl)pyrrolidine-2-carboxylic acid
Also Known As: CL 242817|1-((3-Acetylthio)-3-benzoyl-2-methylpropionyl)-L-proline
CAS: 86709-48-0
| Molecular Formula | C18H21NO5S |
|---|---|
| Molecular Weight | 363.11404 g/mol |
| LogP | 2.2293 |
| Topological Polar Surface Area | 91.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.11404 |
| Monoisotopic Mass | 363.11404 |
| Heavy Atoms | 25 |
| Complexity | 675.30383 |
Chemical Identifiers
| CAS Number | 86709-48-0 |
|---|---|
| SMILES | CC(C(C(=O)C1=CC=CC=C1)SC(=O)C)C(=O)N2CCCC2C(=O)O |
Product Overview
C18H21NO5S (CAS 86709-48-0), with molecular formula C18H21NO5S and molecular weight 363.11404 g/mol. IUPAC: 1-(3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl)pyrrolidine-2-carboxylic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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