(1R,2S,4R,6S,7R,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-10-fluoranyl-2,4,6,8,14-pentamethyl-6-[(E)-3-quinolin-3-ylprop-2-enoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: (1R,2S,4R,6S,7R,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-10-fluoranyl-2,4,6,8,14-pentamethyl-6-[(E)-3-quinolin-3-ylprop-2-enoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (1R,2S,4R,6S,7R,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-10-fluoro-2,4,6,8,14-pentamethyl-6-[(E)-3-(3-quinolyl)allyloxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (1R,2S,4R,6S,7R,8R,13S,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-10-fluoro-2,4,6,8,14-pentamethyl-6-[(E)-3-(3-quinolinyl)prop-2-enoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (1R,2S,4R,6S,7R,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-10-fluoro-2,4,6,8,14-pentamethyl-6-[(E)-3-quinolin-3-ylprop-2-enoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (1R,2S,4R,6S,7R,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-10-fluoro-2,4,6,8,14-pentamethyl-6-[(E)-3-(3-quinolyl)allyloxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C41H56FN3O10 MolecularWeight: 769.895843

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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)F)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC=CC4=CC5=CC=CC=C5N=C4)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)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C

InChI

InChI=1S/C41H56FN3O10/c1-10-30-41(7)35(44-39(50)55-41)24(4)32(46)22(2)20-40(6,51-17-13-14-26-19-27-15-11-12-16-28(27)43-21-26)36(25(5)33(47)31(42)37(49)53-30)54-38-34(48)29(45(8)9)18-23(3)52-38/h11-16,19,21-25,29-31,34-36,38,48H,10,17-18,20H2,1-9H3,(H,44,50)/b14-13+/t22-,23-,24-,25+,29+,30+,31?,34-,35-,36-,38+,40+,41-/m1/s1