Analyte Name

ent-Ritonavir Isopropyl-D6

Molecular Formula

C37 D6 H42 N6 O5 S2

Molecular Weight

726.981

Accurate Mass

726.35

SMILES

[2H]C([2H])([2H])C(c1nc(CN(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)cs1)C([2H])([2H])[2H]

InChI

InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m1/s1/i3D3,4D3

IUPAC

1,3-thiazol-5-ylmethyl N-[(2R,3R,5R)-5-[[(2R)-2-[[[2-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat