Bencisteine
(2R)-2-acetamido-3-(2-methyl-3-oxo-3-phenylpropyl)sulfanylpropanoic acid
Also Known As: Bencisteine|Bencisteina|Bencisteinum|Bencisteine [INN:DCF]|BENCISTEINE [INN]|N-Acetyl-3-((2-benzoylpropyl)thio)alanine|(RS)-2-Acetamido-6-benzoyl-4-thiaheptansaeure|2-Acetamido-3-(2-benzoylpropylthio)propionsaeure|N-Acetyl-3-((2-benzoyl-propyl)thio)alanine|N-Acetyl-3-[(2-benzoylpropyl)thio]-L-alanine|(2R)-2-acetamido-3-(2-methyl-3-oxo-3-phenylpropyl)sulfanylpropanoic acid|n-acetyl-s-(2-methyl-3-oxo-3-phenylpropyl)-l-cysteine|N-Acetyl-S-(2-methyl-3-oxo-3-phenylpropyl)cysteine|L-Cysteine, N-acetyl-S-(2-methyl-3-oxo-3-phenylpropyl)-|N-(1-Hydroxyethylidene)-S-(2-methyl-3-oxo-3-phenylpropyl)cysteine|N-(1-Hydroxyethylidene)-S-(2-methyl-3-oxo-3-phenylpropyl)-L-cysteine|(2R)-2-ACETAMIDO-3-[(2-METHYL-3-OXO-3-PHENYLPROPYL)SULFANYL]PROPANOIC ACID
| Molecular Formula | C15H19NO4S |
|---|---|
| Molecular Weight | 309.1035 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.1035 |
| Monoisotopic Mass | 309.1035 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 36718-65-7 |
|---|---|
| SMILES | CC(CSC[C@@H](C(=O)O)NC(=O)C)C(=O)C1=CC=CC=C1 |
| InChIKey | FXPSJTKESYQXLX-HQVZTVAUSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bencisteine (CAS 36718-65-7), with molecular formula C15H19NO4S and molecular weight 309.1035 g/mol. IUPAC: (2R)-2-acetamido-3-(2-methyl-3-oxo-3-phenylpropyl)sulfanylpropanoic acid.