[(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] cyclopropanecarboxylate

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] cyclopropanecarboxylate 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] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic 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] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic 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: C34H46N2O8 MolecularWeight: 610.73764

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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)C4CC4)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)C4CC4)\C)C)O)OC

InChI

InChI=1S/C34H46N2O8/c1-19-15-24-29(36-13-8-14-36)26(37)18-25(31(24)39)35-33(40)20(2)9-7-10-27(42-5)32(44-34(41)23-11-12-23)22(4)17-21(3)30(38)28(16-19)43-6/h7,9-10,17-19,21,23,27-28,30,32,38H,8,11-16H2,1-6H3,(H,35,40)/b10-7-,20-9+,22-17+/t19-,21+,27+,28+,30-,32+/m1/s1