[(3R,5R,6S,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] butanoate

Systemtic Name: [(3R,5R,6S,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] butanoate Openeye Name: [(3R,5R,6S,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] butanoate CAS Name: butanoic acid [(3R,5R,6S,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,5R,6S,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] butanoate Traditional Name: butyric acid [(3R,5R,6S,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:

CCCC(=O)OC1C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C2=O)CC(CC(C(C(C=C1C)C)O)OC)C)N3CCC3)C)OC

Isomeric SMILES

CCCC(=O)O[C@@H]\1[C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C2=O)C[C@H](C[C@H]([C@H]([C@H](/C=C1\C)C)O)OC)C)N3CCC3)/C)OC

InChI

InChI=1S/C34H48N2O8/c1-8-11-29(38)44-33-23(5)18-22(4)31(39)28(43-7)17-20(2)16-24-30(36-14-10-15-36)26(37)19-25(32(24)40)35-34(41)21(3)12-9-13-27(33)42-6/h9,12-13,18-20,22,27-28,31,33,39H,8,10-11,14-17H2,1-7H3,(H,35,41)/b13-9-,21-12+,23-18+/t20-,22+,27+,28-,31+,33+/m1/s1