tert-butyl N-[N'-[(3aS,4S,5R,7R,7aR)-4-[(R)-cyano(oxidanyl)methyl]-5-ethenyl-2,2,7-trimethyl-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Systemtic Name: tert-butyl N-[N'-[(3aS,4S,5R,7R,7aR)-4-[(R)-cyano(oxidanyl)methyl]-5-ethenyl-2,2,7-trimethyl-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Openeye Name: tert-butyl N-[N'-[(3aS,4S,5R,7R,7aR)-4-[(R)-cyano(hydroxy)methyl]-2,2,7-trimethyl-5-vinyl-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-yl]-N-tert-butoxycarbonyl-carbamimidoyl]carbamate CAS Name: N-[[(3aS,4S,5R,7R,7aR)-4-[(R)-cyano(hydroxy)methyl]-5-ethenyl-2,2,7-trimethyl-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-yl]imino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[N'-[(3aS,4S,5R,7R,7aR)-4-[(R)-cyano(hydroxy)methyl]-5-ethenyl-2,2,7-trimethyl-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Traditional Name: N-[N'-[(3aS,4S,5R,7R,7aR)-4-[(R)-cyano(hydroxy)methyl]-2,2,7-trimethyl-5-vinyl-5,6,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-yl]-N-tert-butoxycarbonyl-amidino]carbamic acid tert-butyl ester Formula: C25H40N4O7 MolecularWeight: 508.6077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C2C1OC(O2)(C)C)(C(C#N)O)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C=C

Isomeric SMILES

C[C@@H]1C[C@@H]([C@@]([C@H]2[C@@H]1OC(O2)(C)C)([C@H](C#N)O)N=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C=C

InChI

InChI=1S/C25H40N4O7/c1-11-15-12-14(2)17-18(34-24(9,10)33-17)25(15,16(30)13-26)29-19(27-20(31)35-22(3,4)5)28-21(32)36-23(6,7)8/h11,14-18,30H,1,12H2,2-10H3,(H2,27,28,29,31,32)/t14-,15+,16+,17-,18-,25+/m1/s1