Bim-46068
methyl (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-methylsulfanylbutanoate
Also Known As: BIM 46068|L-Methionine, N-(((4R)-3-((2S,3S)-2-(((2R)-2-amino-3-mercaptopropyl)amino)-3-methylpentyl)-5,5-dimethyl-4-thiazolidinyl)carbonyl)-, methyl ester|(S)-methyl 2-((R)-3-((2S,3S)-2-(((R)-2-amino-3-mercaptopropyl)amino)-3-methylpentyl)-5,5-dimethylthiazolidine-4-carboxamido)-4-(methylthio)butanoate|methyl (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-methylsulfanylbutanoate
| Molecular Formula | C21H42N4O3S3 |
|---|---|
| Molecular Weight | 494.2419 g/mol |
| LogP | 1.8122 |
| Topological Polar Surface Area | 96.69 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 494.2419 |
| Monoisotopic Mass | 494.2419 |
| Heavy Atoms | 31 |
| Complexity | 567.98804 |
Chemical Identifiers
| CAS Number | 201487-53-8 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](CN1CSC([C@H]1C(=O)N[C@@H](CCSC)C(=O)OC)(C)C)NC[C@H](CS)N |
Product Overview
Bim-46068 (CAS 201487-53-8), with molecular formula C21H42N4O3S3 and molecular weight 494.2419 g/mol. IUPAC: methyl (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-methylsulfanylbutanoate.
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