CAS 1133378-37-6 Darunavir-d9 - Analytical Products / Alfa Chemistry

CAT	APS1133378376
CAS	1133378-37-6
Structure
Synonyms	TMC-114-d9,[(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](2-methylpropyl-d9)amino]-2-hydroxy-1-(phenyl-methyl)propyl]carabamic Acid (3R,3aS,6aR)-Hexahydrofuro[2,3-b]-furan-3-yl Ester, UIC-94017-d9
IUPAC Name	[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Molecular Weight	556.72
Molecular Formula	C272H9H28N3O7S
Canonical SMILES	[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])N(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/i1D3,2D3,15D2,18D

Accurate Mass	556.2917
Format	Neat
Subcategory	Pharmaceutical, Stable isotope labelled compounds, Enzyme inhibitors, HCV protease inhibitors
Type	Stable Isotope Labelled