Account (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
- Catalog No. :
- ACMBJJ680
- CAS No. :
- 213135-56-9
- Molecular Formula :
- C32H45N3O5S
- Molecular Weight :
- 583.79
IUPAC Name:(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
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C32H45N3O5S |
| Molecular Weight | 583.79 |
| 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)CO |
| InChI Key | SLEPDNKZXLVSOH-HKWSIXNMSA-N |
| Synonym | NELFINAVIR HYDROXY-TERT-BUTYLAMIDE;M8;(3S,4aS,8aS)-;Nelfinavir Hydroxy t-Butylamide;3-Isoquinolinecarboxamide, decahydro-N-(2-hydroxy-1,1-dimethylethyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-, (3S,4aS,8aS)- |
| CAS No. | 213135-56-9 |
Synthetic Route by SureRoute
2. ACMBJJ680 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-(tert-Butyl)-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylthio)butyl)decahydroisoquinoline-3-carboxamide methanesulfonate
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