Analyte Name

4-epi-Ritonavir-d6

Molecular Formula

C37H42D6N6O5S2

Molecular Weight

726.98

Accurate Mass

726.35

SMILES

O=C(N[C@H]([C@@H](C[C@@H](NC([C@@H](NC(N(CC1=CSC(C(C([2H])([2H])[2H])C([2H])([2H])[2H])=N1)C)=O)C(C)C)=O)CC2=CC=CC=C2)O)CC3=CC=CC=C3)OCC4=CN=CS4

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-/m0/s1/i3D3,4D3

IUPAC

thiazol-5-ylmethyl ((2S,3R,5S)-3-hydroxy-5-((S)-3-methyl-2-(3-methyl-3-((2-(propan-2-yl-1,1,1,3,3,3-d6)thiazol-4-yl)methyl)ureido)butanamido)-1,6-diphenylhexan-2-yl)carbamate

Unlabelled CAS Number

1414933-81-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat