Account T-3256336
- Catalog No. :
- ACCDAA027
- CAS No. :
- 1266227-69-3
- Molecular Formula :
- C31H45F2N5O5
- Molecular Weight :
- 605.73
IUPAC Name:(3S,7R,8aR)-N-((R)-chroman-4-yl)-2-((S)-2-(4,4-difluorocyclohexyl)-2-((S)-2-(methylamino)propanamido)acetyl)-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide
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Product Information
| Product Name | T-3256336 |
|---|---|
| IUPAC Name | (3S,7R,8aR)-N-((R)-chroman-4-yl)-2-((S)-2-(4,4-difluorocyclohexyl)-2-((S)-2-(methylamino)propanamido)acetyl)-7-ethoxyoctahydropyrrolo[1,2-a]pyrazine-3-carboxamide |
| Molecular Formula | C31H45F2N5O5 |
| Molecular Weight | 605.73 |
| SMILES | O=C(N[C@@H]1CCOC2=CC=CC=C12)[C@H]3N(C[C@@]4([H])C[C@H](CN4C3)OCC)C([C@@H](NC([C@H](C)NC)=O)C5CCC(F)(CC5)F)=O |
| InChI Key | WQLHYSFOEZZZDD-QAPMSZJWSA-N |
| Synonym | (3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;Pyrrolo[1,2-a]pyrazine-3-carboxamide, 2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2S)-2-(methylamino)-1-oxopropyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]-7-ethoxyoctahydro-, (3S,7R,8aR)- |
| CAS No. | 1266227-69-3 |
Synthetic Route by SureRoute
2. ACCDAA027 Molecular Building Block Synthetic Route
(3S,10AS)-8-chloro-N-((R)-chroman-4-yl)-2-((S)-2-cyclohexyl-2-((S)-2-(methylamino)butanamido)acetyl)-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole-3-carboxamide
NB-533
tert-Butyl ((S)-1-(((S)-1-cyclohexyl-2-((2S,4S)-4-(3-hydroxyphenoxy)-2-(((R)-1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)pyrrolidin-1-yl)-2-oxoethyl)amino)-1-oxopropan-2-yl)(methyl)carbamate