CAS 2034136-66-6 Ritonavir Hydroperoxide - Analytical Products / Alfa Chemistry

CAT	APS2034136666
CAS	2034136-66-6
Structure
Synonyms	Ritonavir Imp. G (EP), Ritonavir Hydroperoxide, 2,7,10,12-Tetraazatridecanoic acid, 13-[2-(1-hydroperoxy-1-methylethyl)-4-thiazolyl]-4-hydroxy-12-methyl-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4S,6S,9S)-
IUPAC Name	1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-5-[[(2S)-2-[[[2-(2-hydroperoxypropan-2-yl)-1,3-thiazol-4-yl]methyl-methylcarbamoyl]amino]-3-methylbutanoyl]amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate
Molecular Weight	752.94
Molecular Formula	C37H48N6O7S2
Canonical SMILES	CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)(C)OO)C(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc3cncs3)Cc4ccccc4
InChI	InChI=1S/C37H48N6O7S2/c1-24(2)32(42-35(46)43(5)20-28-22-51-34(40-28)37(3,4)50-48)33(45)39-27(16-25-12-8-6-9-13-25)18-31(44)30(17-26-14-10-7-11-15-26)41-36(47)49-21-29-19-38-23-52-29/h6-15,19,22-24,27,30-32,44,48H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t27-,30-,31-,32-/m0/s1

Accurate Mass	752.3026
Format	Neat
Subcategory	HCV protease inhibitors, Enzyme inhibitors