Hydrolyzed Ombitasvir-d16

Analyte Name

Hydrolyzed Ombitasvir-d16

Molecular Formula

C50 D16 H53 N7 O9

Molecular Weight

928.223

Accurate Mass

927.616

SMILES

[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[C@]([2H])(NC(=O)OC)C(=O)N1CCC[C@@H]1C(=O)Nc2ccc(cc2)C(O)CCC(Nc3ccc(cc3)C(C)(C)C)c4ccc(NC(=O)[C@H]5CCCN5C(=O)[C@@]([2H])(NC(=O)OC)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc4

InChI

InChI=1S/C50H69N7O9/c1-30(2)42(54-48(63)65-8)46(61)56-28-10-12-39(56)44(59)52-36-20-14-32(15-21-36)38(51-35-24-18-34(19-25-35)50(5,6)7)26-27-41(58)33-16-22-37(23-17-33)53-45(60)40-13-11-29-57(40)47(62)43(31(3)4)55-49(64)66-9/h14-25,30-31,38-43,51,58H,10-13,26-29H2,1-9H3,(H,52,59)(H,53,60)(H,54,63)(H,55,64)/t38?,39-,40-,41?,42+,43+/m1/s1/i1D3,2D3,3D3,4D3,30D,31D,42D,43D

IUPAC

methyl N-[(2S)-1-[(2R)-2-[[4-[1-(4-tert-butylanilino)-4-hydroxy-4-[4-[[(2R)-1-[(2S)-2,3,4,4,4-pentadeuterio-2-(methoxycarbonylamino)-3-(trideuteriomethyl)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]butyl]phenyl]carbamoyl]pyrrolidin-1-yl]-2,3,4,4,4-pentadeuterio-1-oxo-3-(trideuteriomethyl)butan-2-yl]carbamate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat