Velpatasvir-13C2, D6

Product Specifications

Synonyms

(13C,D3)methyl N”[(1R)”2”[(2S,4S)”2”(5”{6”[(2S,5S)”1”[(2S)”2”{[(13C,D3)methoxycarbonyl]amino}”3”methylbutanoyl]”5”methylpyrrolidin”2”yl]”21”oxa”5,7” diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa”1(13),2,4(8),5,9,11,14(19),15,17”nonaen”17”yl}”1H”imidazol”2”yl)”4”(methoxymethyl)pyrrolidin”1”yl]”2”oxo”1”phenylethyl]carbamate

Hazard Statement

No Data Available

Smiles

O=C(O[13C]([2H])([2H])[2H])N[C@@H](C(C)C)C(N1[C@H](C2=NC3=CC=C4C=C5C(OCC6=C5C=CC(C7=CN=C([C@H]8N(C([C@H](NC(O[13C]([2H])([2H])[2H])=O)C9=CC=CC=C9)=O)C[C@@H](COC)C8)N7)=C6)=CC4=C3N2)CC[C@@H]1C)=O

Molecular Formula

C47¹³C2H48D6N8O8

Molecular Weight

891.02

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/i5+1D3,6+1D3

Additionnal Information

IUPAC name: methyl-13C-d3 ((S)-1-((2S,5S)-2-(9-(2-((2S,4S)-1-((R)-2-(((methoxy-13C-d3)carbonyl)amino)-2-phenylacetyl)-4-(methoxymethyl)pyrrolidin-2-yl)-1H-imidazol-5-yl)-1,11-dihydroisochromeno[4',3':6,7]naphtho[1,2-d]imidazol-2-yl)-5-methylpyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)carbamate