Analyte Name

Cobicistat-d8

Molecular Formula

C40 D8 H45 N7 O5 S2

Molecular Weight

784.072

Accurate Mass

783.405

SMILES

[2H]C1([2H])OC([2H])([2H])C([2H])([2H])N(CC[C@H](NC(=O)N(C)Cc2csc(n2)C(C)C)C(=O)NC(CCC(Cc3ccccc3)NC(=O)OCc4cncs4)Cc5ccccc5)C1([2H])[2H]

InChI

InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32?,33?,36-/m0/s1/i18D2,19D2,20D2,21D2

IUPAC

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

Unlabelled CAS Number

1004316-88-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat