[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(2-oxidanylpropylamino)-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-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(2-oxidanylpropylamino)-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-21-(2-hydroxypropylamino)-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)-6-hydroxy-21-(2-hydroxypropylamino)-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)-6-hydroxy-21-(2-hydroxypropylamino)-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)-6-hydroxy-21-(2-hydroxypropylamino)-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: C31H45N3O9 MolecularWeight: 603.7037

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

InChI

InChI=1S/C31H45N3O9/c1-16-11-21-26(33-15-20(5)35)23(36)14-22(28(21)38)34-30(39)17(2)9-8-10-24(41-6)29(43-31(32)40)19(4)13-18(3)27(37)25(12-16)42-7/h8-10,13-14,16,18,20,24-25,27,29,33,35,37H,11-12,15H2,1-7H3,(H2,32,40)(H,34,39)/b10-8-,17-9+,19-13+/t16-,18+,20?,24+,25+,27-,29+/m1/s1