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(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-ylcarbonyl Darunavir, TRC
Specifications
Specifications
| Chemical Name or Material | (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-ylcarbonyl Darunavir |
| CAS | 1971057-59-6 |
| Molecular Formula | C34H45N3O11S |
| Quantity | 25 mg |
| Synonym | Carbamic acid, N-[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]-, (3R,3aS,6aS)-hexahydrofuro[2,3-b]furan-3-yl ester, N-[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]carbamic acid (3R,3aS,6aS)-hexahydrofuro[2,3-b]furan-3-yl ester, Darunavir Dicarbamate Analog, (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-[[4-[[[[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3yl]oxy]carbonyl]amino]-N-isobutylphenyl]sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate |
| InChI Formula | 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+/m0/s1 |
| SMILES | O=C(N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(C2=CC=C(NC(O[C@H]3CO[C@]4([H])[C@@]3([H])CCO4)=O)C=C2)(=O)=O)O[C@H]5CO[C@]6([H])[C@@]5([H])CCO6 |
| IUPAC Name | [(3aS,4R,6aR)-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-phenylbutyl]-(2-methylpropyl)sulfamoyl]phenyl]carbamate |
| Molecular Weight (g/mol) | 703.8 |
| Formula Weight | 703.2775 |
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