CAS 1546918-95-9 1-epi-Darunavir - Analytical Products / Alfa Chemistry

CAT	APS1546918959
CAS	1546918-95-9
Synonyms	[(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl] N-[(1R,2R)-3-[[[4-(Amino)phenyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamate,Carbamic acid, N-[(1R,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester
IUPAC Name	[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2R,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Molecular Weight	547.66
Molecular Formula	C27H37N3O7S
Canonical SMILES	CC(C)CN(C[C@@H](O)[C@@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)c4ccc(N)cc4
InChI	InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23+,24+,25-,26+/m0/s1

Accurate Mass	547.2352
Format	Neat
Subcategory	HCV protease inhibitors, Enzyme inhibitors