Pibrentasvir-d6

Analyte Name

Pibrentasvir-d6

Molecular Formula

C57 D6 H59 F5 N10 O8

Molecular Weight

1119.217

Accurate Mass

1118.528

SMILES

[2H]C([2H])([2H])OC(=O)N[C@@H]([C@@H](C)OC)C(=O)N1CCC[C@H]1c2nc3cc(F)c(cc3[nH]2)[C@H]4CC[C@@H](N4c5cc(F)c(N6CCC(CC6)c7ccc(F)cc7)c(F)c5)c8cc9[nH]c(nc9cc8F)[C@@H]%10CCCN%10C(=O)[C@@H](NC(=O)OC([2H])([2H])[2H])[C@@H](C)OC

InChI

InChI=1S/C57H65F5N10O8/c1-29(77-3)49(67-56(75)79-5)54(73)70-19-7-9-47(70)52-63-41-25-35(37(59)27-43(41)65-52)45-15-16-46(72(45)34-23-39(61)51(40(62)24-34)69-21-17-32(18-22-69)31-11-13-33(58)14-12-31)36-26-42-44(28-38(36)60)66-53(64-42)48-10-8-20-71(48)55(74)50(30(2)78-4)68-57(76)80-6/h11-14,23-30,32,45-50H,7-10,15-22H2,1-6H3,(H,63,65)(H,64,66)(H,67,75)(H,68,76)/t29-,30-,45-,46-,47+,48+,49+,50+/m1/s1/i5D3,6D3

IUPAC

trideuteriomethyl N-[(2S,3R)-1-[(2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]-5-[6-fluoro-2-[(2S)-1-[(2S,3R)-3-methoxy-2-(trideuteriomethoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat