[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(azetidin-2-yl)-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate

Systemtic Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(azetidin-2-yl)-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate Openeye Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(azetidin-2-yl)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate CAS Name: carbamic acid [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(2-azetidinyl)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester IUPAC Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(azetidin-2-yl)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate Traditional Name: carbamic acid [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(azetidin-2-yl)-6-hydroxy-16,20,22-triketo-5,11-dimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester Formula: C31H43N3O8 MolecularWeight: 585.68842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)C3CCN3)C)OC)OC(=O)N)C)C)O)OC

Isomeric SMILES

C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)C3CCN3)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C31H43N3O8/c1-16-12-20-26(21-10-11-33-21)23(35)15-22(28(20)37)34-30(38)17(2)8-7-9-24(40-5)29(42-31(32)39)19(4)14-18(3)27(36)25(13-16)41-6/h7-9,14-16,18,21,24-25,27,29,33,36H,10-13H2,1-6H3,(H2,32,39)(H,34,38)/b9-7-,17-8+,19-14+/t16-,18+,21?,24+,25+,27-,29+/m1/s1