Analyte Name

Ritonavir Valine

Molecular Formula

C42 H57 N7 O6 S2

Molecular Weight

820.075

Accurate Mass

819.381

SMILES

CC(C)[C@@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)Cc4ccccc4

InChI

InChI=1S/C42H57N7O6S2/c1-26(2)36(47-39(52)37(27(3)4)48-41(53)49(7)22-32-24-56-40(45-32)28(5)6)38(51)44-31(18-29-14-10-8-11-15-29)20-35(50)34(19-30-16-12-9-13-17-30)46-42(54)55-23-33-21-43-25-57-33/h8-17,21,24-28,31,34-37,50H,18-20,22-23H2,1-7H3,(H,44,51)(H,46,54)(H,47,52)(H,48,53)/t31-,34-,35-,36-,37+/m0/s1

IUPAC

1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[(2R)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat