Nelfinavir Sulfone

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For Research Use Only | Not For Clinical Use
CATAPS1041389290
CAS1041389-29-0
Structure
IUPAC Name(3S,4aS,8aS)-2-[(2R,3R)-4-(benzenesulfonyl)-2-hydroxy-3-[(3-hydroxy-2-methyl-benzoyl)amino]butyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Molecular Weight599.78
Molecular FormulaC32H45N3O6S
Canonical SMILESCc1c(O)cccc1C(=O)N[C@@H](CS(=O)(=O)c2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C
InChIInChI=1S/C32H45N3O6S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-42(40,41)24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1
Accurate Mass599.3029
FormatNeat
Product TypeImpurity
SubcategoryHCV protease inhibitors, Impurity standards
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