Account (3S,4aS,8aS)-N-(tert-Butyl)-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylthio)butyl)decahydroisoquinoline-3-carboxamide
- Catalog No. :
- ACFRVM104
- CAS No. :
- 159989-64-7
- Molecular Formula :
- C32H45N3O4S
- Molecular Weight :
- 567.80
IUPAC Name:(3S,4aS,8aS)-N-(tert-butyl)-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylthio)butyl)decahydroisoquinoline-3-carboxamide
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10mg99%$88.00Login to see priceInquiryInquiry
50mg99%$175.00Login to see priceInquiryInquiry
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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 |
|---|---|
| IUPAC Name | (3S,4aS,8aS)-N-(tert-butyl)-2-((2R,3R)-2-hydroxy-3-(3-hydroxy-2-methylbenzamido)-4-(phenylthio)butyl)decahydroisoquinoline-3-carboxamide |
| MDL No. | MFCD01938163 |
| Molecular Formula | C32H45N3O4S |
| Molecular Weight | 567.80 |
| 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 |
| InChI Key | QAGYKUNXZHXKMR-HKWSIXNMSA-N |
| Synonym | Nelfinavir Regeoisomer;N-tert-butyl-2-[2-hydroxy-3-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-4-(phenylthio)butyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide;AG 1341; AG-1341; AG1341;3-isoquinolinecarboxamide,n-(1,1-dimethylethyl)decahydro-2-(2-hydroxy-3-((3-hy;8a-beta))-a-bet;nefinavir;NELFINAVIR;(3S,4aS,8aS)-N-(1,1-Dimethylethyl)decahydro-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylthio)butyl]-3-isoquinolinecarboxamide |
| CAS No. | 159989-64-7 |
| PubChem CID | 64143 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P280-P305+P351+P338
Synthetic Route by SureRoute
2. ACFRVM104 Molecular Building Block Synthetic Route
(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
(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