Ledipasvir Impurity C

Analyte Name

Ledipasvir Impurity C

Molecular Formula

C49 H54 F2 N8 O6

Molecular Weight

889.0

Accurate Mass

888.413

SMILES

CNC(=O)O[C@@H](C(C)C)C(=O)N1CC2(CC2)C[C@H]1c3ncc([nH]3)c4ccc5c6ccc(cc6C(F)(F)c5c4)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/C49H54F2N8O6/c1-24(2)39(57-47(63)64-6)44(60)59-30-11-7-29(17-30)40(59)43-54-35-14-10-27(20-36(35)55-43)26-8-12-31-32-13-9-28(19-34(32)49(50,51)33(31)18-26)37-22-53-42(56-37)38-21-48(15-16-48)23-58(38)45(61)41(25(3)4)65-46(62)52-5/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,62)(H,53,56)(H,54,55)(H,57,63)/t29-,30+,38-,39-,40-,41-/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat