Account 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
- Catalog No. :
- ACTQUF299
- CAS No. :
- 1217807-30-1
- Molecular Formula :
- C34H47N3O6S
- Molecular Weight :
- 625.83
IUPAC Name: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
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| Molecular Formula | C34H47N3O6S |
| Molecular Weight | 625.83 |
| SMILES | CC(OC1=CC=CC(C(N[C@H]([C@H](O)CN2C[C@@]3([H])CCCC[C@@]3([H])C[C@H]2C(NC(C)(C)CO)=O)CSC4=CC=CC=C4)=O)=C1C)=O |
| InChI Key | PDWBTEQIUJJWJF-VOULMWPJSA-N |
| Synonym | [3-[[(2R,3R)-4-[(3S,4aS,8aS)-3-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylsulfanylbutan-2-yl]carbamoyl]-2-methylphenyl] acetate;(3S,4aS,8aS)-2-[(2R,3R)-3-[(3-Acetoxy-2-methylbenzoyl)amino]-4-phenythiobutyl]-decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide |
| CAS No. | 1217807-30-1 |
Synthetic Route by SureRoute
2. ACTQUF299 Molecular Building Block Synthetic Route
3-(((R)-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
(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
