[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl-[2,2-dimethyl-5-(thiophen-2-ylcarbonylamino)pentyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl-[2,2-dimethyl-5-(thiophen-2-ylcarbonylamino)pentyl]amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(1S,2R)-3-[1,3-benzodioxol-5-ylsulfonyl-[2,2-dimethyl-5-(thiophene-2-carbonylamino)pentyl]amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl-[2,2-dimethyl-5-[[oxo(thiophen-2-yl)methyl]amino]pentyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester IUPAC Name: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl-[2,2-dimethyl-5-(thiophene-2-carbonylamino)pentyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-3-[1,3-benzodioxol-5-ylsulfonyl-[2,2-dimethyl-5-(2-thenoylamino)pentyl]amino]-1-benzyl-2-hydroxy-propyl]carbamic acid [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] ester Formula: C36H45N3O10S2 MolecularWeight: 743.8866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCNC(=O)C1=CC=CS1)CN(CC(C(CC2=CC=CC=C2)NC(=O)OC3COC4C3CCO4)O)S(=O)(=O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C)(CCCNC(=O)C1=CC=CS1)CN(C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)S(=O)(=O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C36H45N3O10S2/c1-36(2,14-7-15-37-33(41)32-10-6-17-50-32)22-39(51(43,44)25-11-12-29-30(19-25)48-23-47-29)20-28(40)27(18-24-8-4-3-5-9-24)38-35(42)49-31-21-46-34-26(31)13-16-45-34/h3-6,8-12,17,19,26-28,31,34,40H,7,13-16,18,20-23H2,1-2H3,(H,37,41)(H,38,42)/t26-,27-,28+,31-,34+/m0/s1