CAS 1890114-11-0 appears in our catalog under these names: Pibrentasvir Impurity 2, di-tert-butyl 2,2'-(((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(6-fluoro-1H-benzo(d)imidazole-5,2-diyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 25mg.
Tert-butyl (2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]-5-[6-fluoro-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate (CAS 1890114-11-0) is a chemical compound with the molecular formula C53H59F5N8O4 and a molecular weight of 967.1 g/mol. IUPAC name: tert-butyl (2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]-5-[6-fluoro-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate. InChIKey: XPFFHMRTDUQKDT-NLBJKKAISA-N.
| Molecular formula | C53H59F5N8O4 |
|---|---|
| Molecular weight | 967.1 g/mol |
| IUPAC name | tert-butyl (2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]-5-[6-fluoro-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate |
| InChIKey | XPFFHMRTDUQKDT-NLBJKKAISA-N |
| SMILES | CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C(=C3)F)[C@H]4CC[C@@H](N4C5=CC(=C(C(=C5)F)N6CCC(CC6)C7=CC=C(C=C7)F)F)C8=CC9=C(C=C8F)N=C(N9)[C@@H]1CCCN1C(=O)OC(C)(C)C |
Computed by PubChem (NCBI)