[(3R,5S,6R,7S,8E,10S,11S,12E,14Z)-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(propanoylamino)-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)-5,11-dimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(propanoylamino)-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)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(propanoylamino)-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)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(1-oxopropylamino)-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)-6-hydroxy-5,11-dimethoxy-3,7,9,15-tetramethyl-16,20,22-trioxo-21-(propanoylamino)-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)-6-hydroxy-16,20,22-triketo-5,11-dimethoxy-3,7,9,15-tetramethyl-21-propionamido-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] ester Formula: C31H43N3O9 MolecularWeight: 601.68782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C2CC(CC(C(C(C=C(C(C(C=CC=C(C(=O)NC(=CC1=O)C2=O)C)OC)OC(=O)N)C)C)O)OC)C

Isomeric SMILES

CCC(=O)NC1=C2C[C@H](C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C/C=C(\C(=O)NC(=CC1=O)C2=O)/C)OC)OC(=O)N)\C)C)O)OC)C

InChI

InChI=1S/C31H43N3O9/c1-8-25(36)34-26-20-12-16(2)13-24(42-7)27(37)18(4)14-19(5)29(43-31(32)40)23(41-6)11-9-10-17(3)30(39)33-21(28(20)38)15-22(26)35/h9-11,14-16,18,23-24,27,29,37H,8,12-13H2,1-7H3,(H2,32,40)(H,33,39)(H,34,36)/b11-9+,17-10-,19-14+/t16-,18+,23+,24+,27-,29+/m1/s1