Account (3S,4aS,8aS)-N-(tert-Butyl)-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylthio)butyl)decahydroisoquinoline-3-carboxamide methanesulfonate
- Catalog No. :
- ACIBNZ592
- CAS No. :
- 159989-65-8
- Molecular Formula :
- C33H49N3O7S2
- Molecular Weight :
- 663.90
IUPAC Name:(3S,4aS,8aS)-N-(tert-butyl)-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylthio)butyl)decahydroisoquinoline-3-carboxamide methanesulfonate
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Product Information
| Product Name | (3S,4aS,8aS)-N-(tert-Butyl)-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylthio)butyl)decahydroisoquinoline-3-carboxamide methanesulfonate |
|---|---|
| IUPAC Name | (3S,4aS,8aS)-N-(tert-butyl)-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylthio)butyl)decahydroisoquinoline-3-carboxamide methanesulfonate |
| MDL No. | MFCD00931436 |
| Molecular Formula | C33H49N3O7S2 |
| Molecular Weight | 663.90 |
| SMILES | O=C([C@H]1N(C[C@@H](O)[C@@H](NC(C2=CC=CC(O)=C2C)=O)CSC3=CC=CC=C3)C[C@@]4([H])CCCC[C@@]4([H])C1)NC(C)(C)C.OS(=O)(C)=O |
| InChI Key | NQHXCOAXSHGTIA-SKXNDZRYSA-N |
| Synonym | (3S,4aS,8aS)-3-(tert-butylcarbamoyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinolinium methanesulfonate | MLS006010141 | NELFINAVIR MESILATE [JAN] | ARV-SR0121 | CCG-100925 | EX-A3335 | MLS001055355 |
| CAS No. | 159989-65-8 |
| PubChem CID | 64142 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H317-H319
- Precautionary Statement(s)
- P280-P305+P351+P338
Synthetic Route by SureRoute
2. ACIBNZ592 Molecular Building Block Synthetic Route
(3S,4aS,8aS)-N-(tert-Butyl)-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylthio)butyl)decahydroisoquinoline-3-carboxamide
(3S,4AS,8aS)-N-(1-hydroxy-2-methylpropan-2-yl)-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylthio)butyl)decahydroisoquinoline-3-carboxamide
Rel-3-(((2R,3R)-3-hydroxy-4-((3S,4aS,8aS)-3-((1-hydroxy-2-methylpropan-2-yl)carbamoyl)octahydroisoquinolin-2(1H)-yl)-1-(phenylthio)butan-2-yl)carbamoyl)-2-methylphenyl acetate