[(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-21-(2-dimethylaminoethylamino)-5,6,11-trimethoxy-3,7,9,15-tetramethyl-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,12E,14Z)-21-(2-dimethylaminoethylamino)-5,6,11-trimethoxy-3,7,9,15-tetramethyl-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,12E,14Z)-21-(2-dimethylaminoethylamino)-5,6,11-trimethoxy-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,12E,14Z)-21-(2-dimethylaminoethylamino)-5,6,11-trimethoxy-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,12E,14Z)-21-(2-dimethylaminoethylamino)-5,6,11-trimethoxy-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,12E,14Z)-21-(2-dimethylaminoethylamino)-16,20,22-triketo-5,6,11-trimethoxy-3,7,9,15-tetramethyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester Formula: C33H50N4O8 MolecularWeight: 630.7721

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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)NCCN(C)C)C)OC)OC(=O)N)C)C)OC)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)NCCN(C)C)/C)OC)OC(=O)N)\C)C)OC)OC

InChI

InChI=1S/C33H50N4O8/c1-19-15-23-28(35-13-14-37(5)6)25(38)18-24(29(23)39)36-32(40)20(2)11-10-12-26(42-7)31(45-33(34)41)22(4)17-21(3)30(44-9)27(16-19)43-8/h10-12,17-19,21,26-27,30-31,35H,13-16H2,1-9H3,(H2,34,41)(H,36,40)/b12-10+,20-11-,22-17+/t19-,21+,26+,27+,30-,31+/m1/s1