[(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(azetidin-1-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] 2-methylpropanoate

Systemtic Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(azetidin-1-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] 2-methylpropanoate Openeye Name: [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(azetidin-1-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] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(1-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-1-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] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(3R,5S,6R,7S,8E,10S,11S,12Z,14E)-21-(azetidin-1-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: C34H48N2O8 MolecularWeight: 612.75352

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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)N3CCC3)C)OC)OC(=O)C(C)C)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)N3CCC3)/C)OC)OC(=O)C(C)C)\C)C)O)OC

InChI

InChI=1S/C34H48N2O8/c1-19(2)34(41)44-32-23(6)17-22(5)30(38)28(43-8)16-20(3)15-24-29(36-13-10-14-36)26(37)18-25(31(24)39)35-33(40)21(4)11-9-12-27(32)42-7/h9,11-12,17-20,22,27-28,30,32,38H,10,13-16H2,1-8H3,(H,35,40)/b12-9-,21-11+,23-17+/t20-,22+,27+,28+,30-,32+/m1/s1