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

Systemtic Name: (1S,2R,4R,6R,7R,8R,10S,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-fluoranyl-2,4,6,8,10,14-hexamethyl-6-[(E)-3-(1,8-naphthyridin-3-yl)prop-2-enoxy]-13-propyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (1S,2R,4R,6R,7R,8R,10S,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-fluoro-2,4,6,8,10,14-hexamethyl-6-[(E)-3-(1,8-naphthyridin-3-yl)allyloxy]-13-propyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (1S,2R,4R,6R,7R,8R,10S,13R,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-fluoro-2,4,6,8,10,14-hexamethyl-6-[(E)-3-(1,8-naphthyridin-3-yl)prop-2-enoxy]-13-propyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (1S,2R,4R,6R,7R,8R,10S,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-fluoro-2,4,6,8,10,14-hexamethyl-6-[(E)-3-(1,8-naphthyridin-3-yl)prop-2-enoxy]-13-propyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (1S,2R,4R,6R,7R,8R,10S,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-fluoro-2,4,6,8,10,14-hexamethyl-6-[(E)-3-(1,8-naphthyridin-3-yl)allyloxy]-13-propyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C42H59FN4O10 MolecularWeight: 798.937063

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC=CC4=CN=C5C(=C4)C=CC=N5)C)C)NC(=O)O2)C

Isomeric SMILES

CCC[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]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=CN=C5C(=C4)C=CC=N5)C)C)NC(=O)O2)C

InChI

InChI=1S/C42H59FN4O10/c1-11-14-30-42(8)33(46-39(52)57-42)25(4)31(48)23(2)21-40(6,53-18-13-15-27-20-28-16-12-17-44-36(28)45-22-27)35(26(5)34(50)41(7,43)38(51)55-30)56-37-32(49)29(47(9)10)19-24(3)54-37/h12-13,15-17,20,22-26,29-30,32-33,35,37,49H,11,14,18-19,21H2,1-10H3,(H,46,52)/b15-13+/t23-,24-,25+,26+,29+,30-,32-,33+,35-,37+,40-,41+,42-/m1/s1