tert-butyl N-[N'-[(3aR,4R,5aS,6S,8S,8aS,8bS)-8-cyano-2,2,4-trimethyl-6-oxidanyl-4,5,5a,6,8,8b-hexahydro-3aH-[1,3]dioxolo[4,5-e][2]benzofuran-8a-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Systemtic Name: tert-butyl N-[N'-[(3aR,4R,5aS,6S,8S,8aS,8bS)-8-cyano-2,2,4-trimethyl-6-oxidanyl-4,5,5a,6,8,8b-hexahydro-3aH-[1,3]dioxolo[4,5-e][2]benzofuran-8a-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Openeye Name: tert-butyl N-[N'-[(3aR,4R,5aS,6S,8S,8aS,8bS)-8-cyano-6-hydroxy-2,2,4-trimethyl-4,5,5a,6,8,8b-hexahydro-3aH-[1,3]dioxolo[4,5-e]isobenzofuran-8a-yl]-N-tert-butoxycarbonyl-carbamimidoyl]carbamate CAS Name: N-[[(3aR,4R,5aS,6S,8S,8aS,8bS)-8-cyano-6-hydroxy-2,2,4-trimethyl-4,5,5a,6,8,8b-hexahydro-3aH-[1,3]dioxolo[4,5-e]isobenzofuran-8a-yl]imino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[N'-[(3aR,4R,5aS,6S,8S,8aS,8bS)-8-cyano-6-hydroxy-2,2,4-trimethyl-4,5,5a,6,8,8b-hexahydro-3aH-[1,3]dioxolo[4,5-e][2]benzofuran-8a-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Traditional Name: N-[N'-[(3aR,4R,5aS,6S,8S,8aS,8bS)-8-cyano-6-hydroxy-2,2,4-trimethyl-4,5,5a,6,8,8b-hexahydro-3aH-[1,3]dioxol[4,5-e]isobenzofuran-8a-yl]-N-tert-butoxycarbonyl-amidino]carbamic acid tert-butyl ester Formula: C24H38N4O8 MolecularWeight: 510.58052

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C(OC(C2(C3C1OC(O3)(C)C)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C#N)O

Isomeric SMILES

C[C@@H]1C[C@@H]2[C@H](O[C@@H]([C@@]2([C@H]3[C@@H]1OC(O3)(C)C)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C#N)O

InChI

InChI=1S/C24H38N4O8/c1-12-10-13-17(29)32-14(11-25)24(13,16-15(12)33-23(8,9)34-16)28-18(26-19(30)35-21(2,3)4)27-20(31)36-22(5,6)7/h12-17,29H,10H2,1-9H3,(H2,26,27,28,30,31)/t12-,13-,14-,15-,16-,17+,24+/m1/s1