(1R,2S,4R,6S,7R,8R,13S,14S)-6-but-2-ynoxy-7-[(1R,2R,3S,5R)-3-(dimethylamino)-5-methyl-2-oxidanyl-cyclohexyl]oxy-13-ethyl-10-fluoranyl-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: (1R,2S,4R,6S,7R,8R,13S,14S)-6-but-2-ynoxy-7-[(1R,2R,3S,5R)-3-(dimethylamino)-5-methyl-2-oxidanyl-cyclohexyl]oxy-13-ethyl-10-fluoranyl-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (1R,2S,4R,6S,7R,8R,13S,14S)-6-but-2-ynoxy-7-[(1R,2R,3S,5R)-3-(dimethylamino)-2-hydroxy-5-methyl-cyclohexoxy]-13-ethyl-10-fluoro-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (1R,2S,4R,6S,7R,8R,13S,14S)-6-but-2-ynoxy-7-[(1R,2R,3S,5R)-3-(dimethylamino)-2-hydroxy-5-methylcyclohexyl]oxy-13-ethyl-10-fluoro-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (1R,2S,4R,6S,7R,8R,13S,14S)-6-but-2-ynoxy-7-[(1R,2R,3S,5R)-3-(dimethylamino)-2-hydroxy-5-methylcyclohexyl]oxy-13-ethyl-10-fluoro-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (1R,2S,4R,6S,7R,8R,13S,14S)-6-but-2-ynoxy-7-[(1R,2R,3S,5R)-3-(dimethylamino)-2-hydroxy-5-methyl-cyclohexoxy]-13-ethyl-10-fluoro-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C35H55FN2O9 MolecularWeight: 666.817603

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3CC(CC(C3O)N(C)C)C)(C)OCC#CC)C)C)NC(=O)O2)C

Isomeric SMILES

CC[C@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O1)(C)F)C)O[C@@H]3C[C@@H](C[C@@H]([C@H]3O)N(C)C)C)(C)OCC#CC)C)C)NC(=O)O2)C

InChI

InChI=1S/C35H55FN2O9/c1-12-14-15-44-33(7)18-20(4)26(39)21(5)28-35(9,47-32(43)37-28)25(13-2)46-31(42)34(8,36)29(41)22(6)30(33)45-24-17-19(3)16-23(27(24)40)38(10)11/h19-25,27-28,30,40H,13,15-18H2,1-11H3,(H,37,43)/t19-,20-,21-,22+,23+,24-,25+,27-,28-,30-,33+,34?,35-/m1/s1