Hydroxy Velpatasvir

Analyte Name

Hydroxy Velpatasvir

Molecular Formula

C49 H54 N8 O9

Molecular Weight

899.001

Accurate Mass

898.401

SMILES

COC[C@H]1C[C@H](N(C1)C(=O)[C@H](NC(=O)OC)c2ccccc2)c3ncc([nH]3)c4ccc5c(c4)C(O)Oc6cc7c(ccc8nc([nH]c78)[C@@H]9CC[C@H](C)N9C(=O)[C@@H](NC(=O)OC)C(C)C)cc56

InChI

InChI=1S/C49H54N8O9/c1-25(2)40(54-48(61)64-5)46(59)57-26(3)12-17-37(57)44-51-35-16-14-29-19-33-31-15-13-30(20-34(31)47(60)66-39(33)21-32(29)42(35)53-44)36-22-50-43(52-36)38-18-27(24-63-4)23-56(38)45(58)41(55-49(62)65-6)28-10-8-7-9-11-28/h7-11,13-16,19-22,25-27,37-38,40-41,47,60H,12,17-18,23-24H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t26-,27-,37-,38-,40-,41+,47?/m0/s1

IUPAC

methyl N-[(1R)-2-[(2S,4S)-2-[5-[20-hydroxy-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(13),2,4(8),6,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat