Ethylbis(de((3R,3aS,6aR)-3-methoxyhexahydrofuro[2,3-b]furan)darunavir)

Analyte Name

Ethylbis(de((3R,3aS,6aR)-3-methoxyhexahydrofuro[2,3-b]furan)darunavir)

Molecular Formula

C44 H60 N6 O8 S2

Molecular Weight

865.113

Accurate Mass

864.391

SMILES

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NC(Cc2ccccc2)[C@@H](O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3)S(=O)(=O)c4ccc(N)cc4

InChI

InChI=1S/C44H60N6O8S2/c1-31(2)27-49(59(55,56)37-19-15-35(45)16-20-37)29-41(51)39(25-33-11-7-5-8-12-33)47-43(53)23-24-44(54)48-40(26-34-13-9-6-10-14-34)42(52)30-50(28-32(3)4)60(57,58)38-21-17-36(46)18-22-38/h5-22,31-32,39-42,51-52H,23-30,45-46H2,1-4H3,(H,47,53)(H,48,54)/t39-,40?,41+,42-/m0/s1

IUPAC

N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-N'-[(3S)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]butanediamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat