CAS Number
Molecular Formula
C33H45N3O13S
Product format
Neat
Molecular Weight
723.80
API Family
Synonyms
1159613-25-8; Darunavir metabolite M18; UNII-KU641CZY53; KU641CZY53; DARUNAVIR N-BETA-D-GLUCURONIDE; (2S, 3S, 4S, 5R, 6R)-6-[4-[[(2R, 3S)-3-[[(3aS, 4R, 6aR)-2, 3, 3a, 4, 5, 6a-hexahydrofuro[2, 3-b]furan-4-yl]oxycarbonylamino]-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)sulfamoyl]anilino]-3, 4, 5-trihydroxyoxane-2-carboxylic acid; 1-Deoxy-1-[[4-[[[(2R, 3S)-3-[[[[(3R, 3aS, 6aR)-hexahydrofuro[2, 3-b]furan-3-yl]oxy]carbonyl]amino]-2-hydroxy-4-phenylbutyl](2-methylpropyl)amino]sulfonyl]phenyl]amino]-beta-D-glucopyranuronic Acid; 1-Deoxy-1-((4-((((2R, 3S)-3-(((((3R, 3aS, 6aR)-hexahydrofuro(2, 3-b)furan-3-yl)oxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)(2-methylpropyl)amino)sulfonyl)phenyl)amino)-beta-D-glucopyranuronic acid; DTXSID90747417; .BETA.-D-GLUCOPYRANURONIC ACID, 1-DEOXY-1-((4-((((2R, 3S)-3-(((((3R, 3AS, 6AR)-HEXAHYDROFURO(2, 3-B)FURAN-3-YL)OXY)CARBONYL)AMINO)-2-HYDROXY-4-PHENYLBUTYL)(2-METHYLPROPYL)AMINO)SULFONYL)PHENYL)AMINO)-; 1-DEOXY-1-((4-((((2R, 3S)-3-(((((3R, 3AS, 6AR)-HEXAHYDROFURO(2, 3-B)FURAN-3-YL)OXY)CARBONYL)AMINO)-2-HYDROXY-4-PHENYLBUTYL)(2-METHYLPROPYL)AMINO)SULFONYL)PHENYL)AMINO)-.BETA.-D-GLUCOPYRANURONIC ACID; beta-D-Glucopyranuronic acid, 1-deoxy-1-((4-((((2R, 3S)-3-(((((3R, 3aS, 6aR)-hexahydrofuro(2, 3-b)furan-3-yl)oxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)(2-methylpropyl)amino)sulfonyl)phenyl)amino)-; N-{4-[{(2R, 3S)-3-[({[(3R, 3aS, 6aR)-Hexahydrofuro[2 and 3-b]furan-3-yl]oxy}carbonyl)amino]-2-hydroxy-4-phenylbutyl}(2-methylpropyl)sulfamoyl]phenyl}-beta-D-glucopyranuronosylamine
Iupac Name
(2S, 3S, 4S, 5R, 6R)-6-[4-[[(2R, 3S)-3-[[(3aS, 4R, 6aR)-2, 3, 3a, 4, 5, 6a-hexahydrofuro[2, 3-b]furan-4-yl]oxycarbonylamino]-2-hydroxy-4-phenylbutyl]-(2-methylpropyl)sulfamoyl]anilino]-3, 4 and 5-trihydroxyoxane-2-carboxylic acid
InChI
InChI=1S/C33H45N3O13S/c1-18(2)15-36(50(44,45)21-10-8-20(9-11-21)34-30-28(40)26(38)27(39)29(49-30)31(41)42)16-24(37)23(14-19-6-4-3-5-7-19)35-33(43)48-25-17-47-32-22(25)12-13-46-32/h3-11,18,22-30,32,34,37-40H,12-17H2,1-2H3,(H,35,43)(H,41,42)/t22-,23-,24+,25-,26-,27-,28+,29-,30+,32+/m0/s1
