N-((2S,3R)-4-(4-Amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)formamide N-Darunavir

Analyte Name

N-((2S,3R)-4-(4-Amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)formamide N-Darunavir

Molecular Formula

C48H64N6O11S2

Molecular Weight

965.19

Accurate Mass

964.41

SMILES

O=C(N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(C2=CC=C(NC(N[C@@H](CC3=CC=CC=C3)[C@H](O)CN(CC(C)C)S(C4=CC=C(N)C=C4)(=O)=O)=O)C=C2)(=O)=O)O[C@@]5([H])CO[C@]6([H])[C@@]5([H])CCO6

InChI

InChI=1S/C48H64N6O11S2/c1-32(2)27-53(66(59,60)38-19-15-36(49)16-20-38)29-43(55)41(25-34-11-7-5-8-12-34)51-47(57)50-37-17-21-39(22-18-37)67(61,62)54(28-33(3)4)30-44(56)42(26-35-13-9-6-10-14-35)52-48(58)65-45-31-64-46-40(45)23-24-63-46/h5-22,32-33,40-46,55-56H,23-31,49H2,1-4H3,(H,52,58)(H2,50,51,57)/t40-,41-,42-,43+,44+,45-,46+/m0/s1

IUPAC

(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-((4-(3-((2S,3R)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)ureido)-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat