Analyte Name

Des-difluoro Keto Ledipasvir

Molecular Formula

C49 H54 N8 O7

Molecular Weight

867.003

Accurate Mass

866.412

SMILES

COC(=O)N[C@@H](C(C)C)C(=O)N1CC2(CC2)C[C@H]1c3ncc([nH]3)c4ccc5c(c4)C(=O)c6cc(ccc56)c7ccc8nc([nH]c8c7)[C@@H]9[C@H]%10CC[C@H](C%10)N9C(=O)[C@@H](NC(=O)OC)C(C)C

InChI

InChI=1S/C49H54N8O7/c1-24(2)39(54-47(61)63-5)45(59)56-23-49(15-16-49)21-38(56)43-50-22-37(53-43)28-9-13-32-31-12-8-26(18-33(31)42(58)34(32)19-28)27-10-14-35-36(20-27)52-44(51-35)41-29-7-11-30(17-29)57(41)46(60)40(25(3)4)55-48(62)64-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,50,53)(H,51,52)(H,54,61)(H,55,62)/t29-,30+,38-,39-,40-,41-/m0/s1

IUPAC

methyl N-[(2S)-1-[(6S)-6-[5-[7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9-oxofluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat