[(1R,5S,6R)-2,8-Dioxabicyclo[3.3.0]Oct-6-Yl] N-[(2S,3R)-4-(Benzo[1,3]Dioxol-5-Ylsulfonyl-(2-Methylpropyl)Amino)-3-Hydroxy-1-[4-[(2-Methyl-1,3-Thiazol-4-Yl)Methoxy]Phenyl]Butan-2-Yl]Carbamate
[CAS# 313682-08-5]

Identification

• Name: [(1R,5S,6R)-2,8-Dioxabicyclo[3.3.0]Oct-6-Yl] N-[(2S,3R)-4-(Benzo[1,3]Dioxol-5-Ylsulfonyl-(2-Methylpropyl)Amino)-3-Hydroxy-1-[4-[(2-Methyl-1,3-Thiazol-4-Yl)Methoxy]Phenyl]Butan-2-Yl]Carbamate
• Synonyms: [(3R,3As,6Ar)-2,3,3A,4,5,6A-Hexahydrofuro[5,4-B]Furan-3-Yl] N-[(1S,2R)-3-(1,3-Benzodioxol-5-Ylsulfonyl-Isobutyl-Amino)-2-Hydroxy-1-[[4-[(2-Methylthiazol-4-Yl)Methoxy]Phenyl]Methyl]Propyl]Carbamate; N-[(1S,2R)-3-(1,3-Benzodioxol-5-Ylsulfonyl-Isobutylamino)-2-Hydroxy-1-[[4-[(2-Methyl-4-Thiazolyl)Methoxy]Phenyl]Methyl]Propyl]Carbamic Acid [(3R,3As,6Ar)-2,3,3A,4,5,6A-Hexahydrofuro[5,4-B]Furan-3-Yl] Ester; N-[(1S,2R)-3-(1,3-Benzodioxol-5-Ylsulfonyl-Isobutyl-Amino)-2-Hydroxy-1-[4-[(2-Methylthiazol-4-Yl)Methoxy]Benzyl]Propyl]Carbamic Acid [(3R,3As,6Ar)-2,3,3A,4,5,6A-Hexahydrofuro[5,4-B]Furan-3-Yl] Ester
• Molecular Formula: C₃₃H₄₁N₃O₁₀S₂
• Molecular Weight: 703.82
• CAS Registry Number: 313682-08-5
• SMILES: [C@@H]16[C@@H](OC[C@@H]1OC(=O)N[C@H]([C@H](O)CN([S](=O)(=O)C3=CC2=C(OCO2)C=C3)CC(C)C)CC5=CC=C(OCC4=CSC(=N4)C)C=C5)OCC6
• InChI: 1S/C33H41N3O10S2/c1-20(2)14-36(48(39,40)25-8-9-29-30(13-25)45-19-44-29)15-28(37)27(35-33(38)46-31-17-43-32-26(31)10-11-41-32)12-22-4-6-24(7-5-22)42-16-23-18-47-21(3)34-23/h4-9,13,18,20,26-28,31-32,37H,10-12,14-17,19H2,1-3H3,(H,35,38)/t26-,27-,28+,31-,32+/m0/s1
• InChIKey: JORVRJNILJXMMG-OLNQLETPSA-N

Properties

• Density: 1.43g/cm³ (Cal.)