Ombitasvir-d16

Product Specifications

Hazard Statement

No Data Available

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@H]3CC[C@@H](N3c4ccc(cc4)C(C)(C)C)c5ccc(NC(=O)[C@@H]6CCCN6C(=O)C([2H])(NC(=O)OC)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc5

Molecular Formula

C50 D16 H51 N7 O8

Molecular Weight

910.208

InChI

InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40+,41+,42+,43?/m1/s1/i1D3,2D3,3D3,4D3,30D,31D,42D,43D

Additionnal Information

IUPAC name: methyl N-[1-[(2S)-2-[[4-[(2R,5R)-1-(4-tert-butylphenyl)-5-[4-[[(2S)-1-[(2S)-2,3,4,4,4-pentadeuterio-2-(methoxycarbonylamino)-3-(trideuteriomethyl)butanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-2,3,4,4,4-pentadeuterio-1-oxo-3-(trideuteriomethyl)butan-2-yl]carbamate