Analyte Name

Lopinavir O-Sulfate

CAS Number

2726380-50-1

Molecular Formula

C37H48N4O8S

Molecular Weight

708.86

Accurate Mass

708.32

SMILES

O=C1NCCCN1[C@@H](C(C)C)C(N[C@@H](CC2=CC=CC=C2)C[C@H](OS(=O)(O)=O)[C@H](CC3=CC=CC=C3)NC(COC4=C(C)C=CC=C4C)=O)=O

InChI

InChI=1S/C37H48N4O8S/c1-25(2)34(41-20-12-19-38-37(41)44)36(43)39-30(21-28-15-7-5-8-16-28)23-32(49-50(45,46)47)31(22-29-17-9-6-10-18-29)40-33(42)24-48-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34H,12,19-24H2,1-4H3,(H,38,44)(H,39,43)(H,40,42)(H,45,46,47)/t30-,31-,32-,34-/m0/s1

IUPAC

(2S,3S,5S)-2-(2-(2,6-dimethylphenoxy)acetamido)-5-((S)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamido)-1,6-diphenylhexan-3-yl hydrogen sulfate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat