Analyte Name

(3S,3aR,6aS)-Hexahydrofuro[2,3-b]furan-3-ylcarbonyl Darunavir

CAS Number

1546918-97-1

Molecular Formula

C34 H45 N3 O11 S

Molecular Weight

703.80

Accurate Mass

703.2775

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(NC(=O)O[C@@H]5CO[C@@H]6OCC[C@H]56)cc4

InChI

InChI=1S/C34H45N3O11S/c1-21(2)17-37(49(41,42)24-10-8-23(9-11-24)35-33(39)47-29-19-45-31-25(29)12-14-43-31)18-28(38)27(16-22-6-4-3-5-7-22)36-34(40)48-30-20-46-32-26(30)13-15-44-32/h3-11,21,25-32,38H,12-20H2,1-2H3,(H,35,39)(H,36,40)/t25-,26+,27+,28-,29-,30+,31+,32-/m1/s1

IUPAC

[(3aR,4S,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[4-[[(2R,3S)-3-[[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-hydroxy-4-phenyl-butyl]-isobutyl-sulfamoyl]phenyl]carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat