Velpatasvir-13CD3
Product Specifications
Hazard Statement
No Data Available
Smiles
[2H][13C]([2H])([2H])OC(=O)N[C@@H](C(=O)N1C[C@@H](COC)C[C@H]1c2ncc([nH]2)c3ccc4c(COc5cc6c(ccc7nc([nH]c67)[C@@H]8CC[C@H](C)N8C(=O)[C@@H](NC(=O)OC)C(C)C)cc45)c3)c9ccccc9
Molecular Formula
13C C48 D3 H51 N8 O8
Molecular Weight
887.013
InChI
InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1/i6+1D3
Additionnal Information
IUPAC name: trideuterio(113C)methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1,3,6,8,10,12,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
Shipping Conditions
Room Temperature
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