BIM-46050
(2S)-2-[[(4R)-3-[(2S,3S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylpentyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid
Also Known As: (S)-2-((R)-3-((2S,3S)-2-(((R)-2-amino-3-mercaptopropyl)amino)-3-methylpentyl)-5,5-dimethylthiazolidine-4-carboxamido)-4-(methylthio)butanoic acid.|(2S)-2-[[(4R)-3-[(2S,3S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylpentyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid
| Molecular Formula | C20H40N4O3S3 |
|---|---|
| Molecular Weight | 480.22626 g/mol |
| LogP | 1.7238 |
| Topological Polar Surface Area | 107.69 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 480.22626 |
| Monoisotopic Mass | 480.22626 |
| Heavy Atoms | 30 |
| Complexity | 553.3897 |
Chemical Identifiers
| CAS Number | 201487-52-7 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](CN1CSC([C@H]1C(=O)N[C@@H](CCSC)C(=O)O)(C)C)NC[C@H](CS)N |
Product Overview
BIM-46050 (CAS 201487-52-7), with molecular formula C20H40N4O3S3 and molecular weight 480.22626 g/mol. IUPAC: (2S)-2-[[(4R)-3-[(2S,3S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methylpentyl]-5,5-dimethyl-1,3-thiazolidine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid.