Analyte Name

N-De-4-ethyl-2-isopropylthiazole Ritonavir N-(Thiazol-5-ylmethyl ((2S,3S)-3-Hydroxy-1,6-diphenylhexan-2-yl)carbamate)

CAS Number

2084828-53-3

Molecular Formula

C52H61N7O8S2

Molecular Weight

976.22

Accurate Mass

975.4

SMILES

O=C(OCC1=CN=CS1)N[C@@H](CC2=CC=CC=C2)[C@@H](O)C[C@@H](NC([C@H](C(C)C)NC(N[C@H](C[C@H](O)[C@@H](NC(OCC3=CN=CS3)=O)CC4=CC=CC=C4)CC5=CC=CC=C5)=O)=O)CC6=CC=CC=C6

InChI

InChI=1S/C52H61N7O8S2/c1-35(2)48(49(62)55-40(23-36-15-7-3-8-16-36)27-46(60)44(25-38-19-11-5-12-20-38)57-51(64)66-31-42-29-53-33-68-42)59-50(63)56-41(24-37-17-9-4-10-18-37)28-47(61)45(26-39-21-13-6-14-22-39)58-52(65)67-32-43-30-54-34-69-43/h3-22,29-30,33-35,40-41,44-48,60-61H,23-28,31-32H2,1-2H3,(H,55,62)(H,57,64)(H,58,65)(H2,56,59,63)/t40-,41-,44-,45-,46-,47-,48-/m0/s1

IUPAC

thiazol-5-ylmethyl ((5S,6S,8S,12S,15S,17S,18S)-5,8,15-tribenzyl-6,17-dihydroxy-12-isopropyl-3,10,13-trioxo-19-phenyl-1-(thiazol-5-yl)-2-oxa-4,9,11,14-tetraazanonadecan-18-yl)carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; API; Contaminant

Product Format

Neat