Analyte Name

Ritonavir O-Sulfate

Molecular Formula

C37H48N6O8S3

Molecular Weight

801.01

Accurate Mass

800.27

SMILES

O=C(OCC1=CN=CS1)N[C@@H](CC2=CC=CC=C2)[C@@H](OS(=O)(O)=O)C[C@H](CC3=CC=CC=C3)NC([C@H](C(C)C)NC(N(C)CC4=CSC(C(C)C)=N4)=O)=O

InChI

InChI=1S/C37H48N6O8S3/c1-24(2)33(42-36(45)43(5)20-29-22-52-35(40-29)25(3)4)34(44)39-28(16-26-12-8-6-9-13-26)18-32(51-54(47,48)49)31(17-27-14-10-7-11-15-27)41-37(46)50-21-30-19-38-23-53-30/h6-15,19,22-25,28,31-33H,16-18,20-21H2,1-5H3,(H,39,44)(H,41,46)(H,42,45)(H,47,48,49)/t28-,31-,32-,33-/m0/s1

IUPAC

(5S,8S,10S,11S)-8,11-dibenzyl-5-isopropyl-1-(2-isopropylthiazol-4-yl)-2-methyl-3,6,13-trioxo-15-(thiazol-5-yl)-14-oxa-2,4,7,12-tetraazapentadecan-10-yl hydrogen sulfate

Alternate CAS Number

2983438-67-9

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat