[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-5,11-dimethoxy-3,7,9,15-tetramethyl-21-[7-(8-methyl-2-morpholin-4-yl-4-oxidanylidene-chromen-7-yl)oxyheptylamino]-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)-5,11-dimethoxy-3,7,9,15-tetramethyl-21-[7-(8-methyl-2-morpholin-4-yl-4-oxidanylidene-chromen-7-yl)oxyheptylamino]-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)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-21-[7-(8-methyl-2-morpholino-4-oxo-chromen-7-yl)oxyheptylamino]-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)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-21-[7-[[8-methyl-2-(4-morpholinyl)-4-oxo-1-benzopyran-7-yl]oxy]heptylamino]-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)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-21-[7-(8-methyl-2-morpholin-4-yl-4-oxochromen-7-yl)oxyheptylamino]-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)-6-hydroxy-16,20,22-triketo-21-[7-(4-keto-8-methyl-2-morpholino-chromen-7-yl)oxyheptylamino]-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: C49H66N4O12 MolecularWeight: 903.06794

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)NCCCCCCCOC3=C(C4=C(C=C3)C(=O)C=C(O4)N5CCOCC5)C)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)NCCCCCCCOC3=C(C4=C(C=C3)C(=O)C=C(O4)N5CCOCC5)C)/C)OC)OC(=O)N)\C)C)O)OC

InChI

InChI=1S/C49H66N4O12/c1-29-24-35-43(51-18-11-9-8-10-12-21-63-39-17-16-34-37(54)28-42(64-47(34)33(39)5)53-19-22-62-23-20-53)38(55)27-36(45(35)57)52-48(58)30(2)14-13-15-40(60-6)46(65-49(50)59)32(4)26-31(3)44(56)41(25-29)61-7/h13-17,26-29,31,40-41,44,46,51,56H,8-12,18-25H2,1-7H3,(H2,50,59)(H,52,58)/b15-13-,30-14+,32-26+/t29-,31+,40+,41+,44-,46+/m1/s1