(2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-10-fluoranyl-5-methoxy-2,4,6,8,14-pentamethyl-10-(3-quinolin-3-ylprop-2-ynyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: (2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-13-ethyl-10-fluoranyl-5-methoxy-2,4,6,8,14-pentamethyl-10-(3-quinolin-3-ylprop-2-ynyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-10-fluoro-5-methoxy-2,4,6,8,14-pentamethyl-10-[3-(3-quinolyl)prop-2-ynyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (2S,4R,5R,6R,7S,8R,13S,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-13-ethyl-10-fluoro-5-methoxy-2,4,6,8,14-pentamethyl-10-[3-(3-quinolinyl)prop-2-ynyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-13-ethyl-10-fluoro-5-methoxy-2,4,6,8,14-pentamethyl-10-(3-quinolin-3-ylprop-2-ynyl)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (2S,4R,5R,6R,7S,8R,13S,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-10-fluoro-5-methoxy-2,4,6,8,14-pentamethyl-10-[3-(3-quinolyl)prop-2-ynyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C42H56FN3O10 MolecularWeight: 781.906543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(C(C(C(C(C(=O)C(C(=O)O1)(CC#CC3=CC4=CC=CC=C4N=C3)F)C)OC5C(C(CC(O5)C)N(C)C)O)C)OC)C)C)NC(=O)O2)C

Isomeric SMILES

CC[C@H]1[C@@]2(C([C@@H](C(=O)[C@@H]([C@@H]([C@H]([C@@H]([C@H](C(=O)C(C(=O)O1)(CC#CC3=CC4=CC=CC=C4N=C3)F)C)O[C@H]5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)C)OC)C)C)NC(=O)O2)C

InChI

InChI=1S/C42H56FN3O10/c1-11-31-41(7)36(45-40(51)56-41)24(4)32(47)23(3)34(52-10)25(5)35(55-38-33(48)30(46(8)9)19-22(2)53-38)26(6)37(49)42(43,39(50)54-31)18-14-15-27-20-28-16-12-13-17-29(28)44-21-27/h12-13,16-17,20-26,30-31,33-36,38,48H,11,18-19H2,1-10H3,(H,45,51)/t22-,23+,24-,25-,26-,30+,31+,33-,34+,35+,36?,38+,41-,42?/m1/s1