Account Methyl ((S)-1-((S)-2-((4-((2S,5S)-1-(4-(tert-butyl)phenyl)-5-(4-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidine-2-carboxamido)phenyl)pyrrolidin-2-yl)phenyl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
- Catalog No. :
- ACQWDS941
- CAS No. :
- 1258226-87-7
- Molecular Formula :
- C50H67N7O8
- Molecular Weight :
- 894.13
IUPAC Name:methyl ((S)-1-((S)-2-((4-((2S,5S)-1-(4-(tert-butyl)phenyl)-5-(4-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidine-2-carboxamido)phenyl)pyrrolidin-2-yl)phenyl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate
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Product Information
| Product Name | Methyl ((S)-1-((S)-2-((4-((2S,5S)-1-(4-(tert-butyl)phenyl)-5-(4-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidine-2-carboxamido)phenyl)pyrrolidin-2-yl)phenyl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate |
|---|---|
| IUPAC Name | methyl ((S)-1-((S)-2-((4-((2S,5S)-1-(4-(tert-butyl)phenyl)-5-(4-((S)-1-((methoxycarbonyl)-L-valyl)pyrrolidine-2-carboxamido)phenyl)pyrrolidin-2-yl)phenyl)carbamoyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate |
| MDL No. | MFCD28386270 |
| Molecular Formula | C50H67N7O8 |
| Molecular Weight | 894.13 |
| SMILES | CC(C)(C)C1=CC=C(N2[C@H](C3=CC=C(NC([C@H]4N(CCC4)C([C@H](C(C)C)NC(OC)=O)=O)=O)C=C3)CC[C@H]2C5=CC=C(NC([C@H]6N(CCC6)C([C@H](C(C)C)NC(OC)=O)=O)=O)C=C5)C=C1 |
| InChI Key | PIDFDZJZLOTZTM-KHVQSSSXSA-N |
| Synonym | Ombitasvir | 1258226-87-7 | ABT-267 | Ombitasvir(ABT-267) | ABT267 | CHEBI:85183 | ABT 267 | Ombitasvir (USAN) | L-Prolinamide, 2,2'-[[(2S,5S)-1-[4-(1,1-dimethylethyl)phenyl]-2,5-pyrrolidinediyl]di-4,1-phenylene]bis[N-(methoxycarbonyl)-L-valyl- | OMBITASVIR [USAN] | 2302768X |
| CAS No. | 1258226-87-7 |
| PubChem CID | 54767916 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACQWDS941 Molecular Building Block Synthetic Route
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
(S)-N2,N2-Dimethyl-N1-(2-methyl-4-(2,3,4,5-tetrahydro-1H-benzo[b]azepine-1-carbonyl)benzyl)pyrrolidine-1,2-dicarboxamide
4-((S)-2-((S)-1-(L-asparaginyl)pyrrolidine-2-carboxamido)-3-methylbutanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-2-((1R,2R)-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)amino)-1-methoxy-2-methyl-3-oxopropyl)pyrrolidin-1-yl)-3-methoxy-5-methyl-1-oxoheptan-4-yl)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate