Analyte Name

2,4-Dimethoxy-1,3,5-triazine Velpatasvir

Molecular Formula

C54H59N11O10

Molecular Weight

1022.13

Accurate Mass

1021.44

SMILES

COC[C@H]1C[C@@H](C2=NC(C3=CC4=C(C5=CC6=CC=C7C(NC([C@@H]8CC[C@H](C)N8C([C@@H](NC(OC)=O)C(C)C)=O)=N7)=C6C=C5OC4)C=C3)=CN2C9=NC(OC)=NC(OC)=N9)N(C([C@H](NC(OC)=O)C%10=CC=CC=C%10)=O)C1

InChI

InChI=1S/C54H59N11O10/c1-28(2)43(58-53(68)73-7)49(67)65-29(3)14-19-40(65)46-55-38-18-16-32-22-37-35-17-15-33(21-34(35)27-75-42(37)23-36(32)45(38)57-46)39-25-64(50-60-51(71-5)62-52(61-50)72-6)47(56-39)41-20-30(26-70-4)24-63(41)48(66)44(59-54(69)74-8)31-12-10-9-11-13-31/h9-13,15-18,21-23,25,28-30,40-41,43-44H,14,19-20,24,26-27H2,1-8H3,(H,55,57)(H,58,68)(H,59,69)/t29-,30-,40-,41-,43-,44+/m0/s1

IUPAC

Methyl ((S)-1-((2S,5S)-2-(9-(1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-2-((2S,4S)-1-((R)-2-((methoxycarbonyl)amino)-2-phenylacetyl)-4-(methoxymethyl)pyrrolidin-2-yl)-1H-imidazol-4-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

Country of Origin

CANADA

Product Format

Neat