Account (4S,7S,9aS)-8,8-Dimethyl-4-((S)-2-(methylamino)propanamido)-5-oxo-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)octahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide
- Catalog No. :
- ACXTOH244
- CAS No. :
- 1422180-49-1
- Molecular Formula :
- C25H36N4O4
- Molecular Weight :
- 456.59
IUPAC Name:(4S,7S,9aS)-8,8-dimethyl-4-((S)-2-(methylamino)propanamido)-5-oxo-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)octahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide
![(4S,7S,9aS)-8,8-Dimethyl-4-((S)-2-(methylamino)propanamido)-5-oxo-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)octahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (4S,7S,9aS)-8,8-Dimethyl-4-((S)-2-(methylamino)propanamido)-5-oxo-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)octahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide |
|---|---|
| IUPAC Name | (4S,7S,9aS)-8,8-dimethyl-4-((S)-2-(methylamino)propanamido)-5-oxo-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)octahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide |
| Molecular Formula | C25H36N4O4 |
| Molecular Weight | 456.59 |
| SMILES | O=C([C@H]1N2[C@](OCC[C@@H](C2=O)NC([C@H](C)NC)=O)([H])CC1(C)C)N[C@H]3C4=CC=CC=C4CCC3 |
| InChI Key | PBGOFGSVVXGJCA-KDJJVYBXSA-N |
| Synonym | Pyrrolo[2,1-b][1,3]oxazepine-7-carboxamide, octahydro-8,8-dimethyl-4-[[(2S)-2-(methylamino)-1-oxopropyl]amino]-5-oxo-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]-, (4S,7S,9aS)-;SB1-0636457;SBI-0636457;SBP-0636457 |
| CAS No. | 1422180-49-1 |
Synthetic Route by SureRoute
2. ACXTOH244 Molecular Building Block Synthetic Route
(4S,7R,9AS)-8,8-dimethyl-4-((S)-2-(methylamino)propanamido)-5-oxo-N-((R)-1,2,3,4-tetrahydronaphthalen-1-yl)octahydropyrrolo[2,1-b][1,3]oxazepine-7-carboxamide
tert-Butyl ((S)-1-(((4S,7S,9aS)-7-(((R)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)-8,8-dimethyl-5-oxooctahydropyrrolo[2,1-b][1,3]oxazepin-4-yl)amino)-1-oxopropan-2-yl)(methyl)carbamate
tert-Butyl ((S)-1-(((S)-1-cyclohexyl-2-((2S,4S)-4-hydroxy-2-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyrrolidin-1-yl)-2-oxoethyl)amino)-1-oxopropan-2-yl)(methyl)carbamate