CAS 338990-64-0 is the registry number for 4-(1-(3-(N-(t-Butoxycarbonyl)-N-methylglycyloxy)methyl)pyridin-2-yl(methyl)carbamoyl)oxy)ethyl)-1-(2R,3R)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)2-hydroxybutyl1-(1,2,4-triazol) Iodide. Offered by: TRC. Available pack sizes: 75mg.
[2-[1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate iodide (CAS 338990-64-0) is a chemical compound with the molecular formula C40H43F2IN8O7S and a molecular weight of 944.8 g/mol. IUPAC name: [2-[1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate iodide. InChIKey: SMJKATJGIBGWSI-CYDMSEOTSA-M.
| Molecular formula | C40H43F2IN8O7S |
|---|---|
| Molecular weight | 944.8 g/mol |
| IUPAC name | [2-[1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate iodide |
| InChIKey | SMJKATJGIBGWSI-CYDMSEOTSA-M |
| SMILES | C[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=[N+](C=N3)C(C)OC(=O)N(C)C4=C(C=CC=N4)COC(=O)CN(C)C(=O)OC(C)(C)C)(C5=C(C=CC(=C5)F)F)O.[I-] |
Computed by PubChem (NCBI)