Nelfinavir Hydroxy-tert-butylamide

Analyte Name

Nelfinavir hydroxy-tert-butylamide

CAS Number

213135-56-9

Molecular Formula

C32 H45 N3 O5 S

Molecular Weight

583.78

Accurate Mass

583.308

SMILES

Cc1c(O)cccc1C(=O)N[C@@H](CSc2ccccc2)[C@H](O)CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)CO

InChI

InChI=1S/C32H45N3O5S/c1-21-25(14-9-15-28(21)37)30(39)33-26(19-41-24-12-5-4-6-13-24)29(38)18-35-17-23-11-8-7-10-22(23)16-27(35)31(40)34-32(2,3)20-36/h4-6,9,12-15,22-23,26-27,29,36-38H,7-8,10-11,16-20H2,1-3H3,(H,33,39)(H,34,40)/t22-,23+,26-,27-,29+/m0/s1

IUPAC

(3S,4aS,8aS)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylsulfanylbutyl]-N-(1-hydroxy-2-methylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Nelfinavir

Purity

>95% (HPLC)