[3-[(E)-3-[[(2S,4R,6S,7R,8R,13R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-fluoranyl-2,4,6,8,10,13-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-enyl]quinolin-6-yl]methanesulfonamide

Systemtic Name: [3-[(E)-3-[[(2S,4R,6S,7R,8R,13R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-fluoranyl-2,4,6,8,10,13-hexamethyl-3,9,11,16-tetrakis(oxidanylidene)-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-enyl]quinolin-6-yl]methanesulfonamide Openeye Name: [3-[(E)-3-[[(2S,4R,6S,7R,8R,13R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-fluoro-2,4,6,8,10,13-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-enyl]-6-quinolyl]methanesulfonamide CAS Name: [3-[(E)-3-[[(2S,4R,6S,7R,8R,13R)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-fluoro-2,4,6,8,10,13-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-enyl]-6-quinolinyl]methanesulfonamide IUPAC Name: [3-[(E)-3-[[(2S,4R,6S,7R,8R,13R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-fluoro-2,4,6,8,10,13-hexamethyl-3,9,11,16-tetraoxo-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-enyl]quinolin-6-yl]methanesulfonamide Traditional Name: [3-[(E)-3-[[(2S,4R,6S,7R,8R,13R)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-fluoro-3,9,11,16-tetraketo-2,4,6,8,10,13-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecan-6-yl]oxy]prop-1-enyl]-6-quinolyl]methanesulfonamide Formula: C41H57FN4O12S MolecularWeight: 848.974283

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(O1)OC2C(C(=O)C(C(=O)OC(C3C(C(C(=O)C(CC2(C)OCC=CC4=CN=C5C=CC(=CC5=C4)CS(=O)(=O)N)C)C)NC(=O)O3)C)(C)F)C)O)N(C)C

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C(=O)C(C(=O)O[C@@H](C3C([C@@H](C(=O)[C@@H](C[C@]2(C)OC/C=C/C4=CN=C5C=CC(=CC5=C4)CS(=O)(=O)N)C)C)NC(=O)O3)C)(C)F)C)O)N(C)C

InChI

InChI=1S/C41H57FN4O12S/c1-21-18-40(6,54-14-10-11-26-16-28-17-27(20-59(43,52)53)12-13-29(28)44-19-26)36(58-37-33(48)30(46(8)9)15-22(2)55-37)24(4)35(49)41(7,42)38(50)56-25(5)34-31(23(3)32(21)47)45-39(51)57-34/h10-13,16-17,19,21-25,30-31,33-34,36-37,48H,14-15,18,20H2,1-9H3,(H,45,51)(H2,43,52,53)/b11-10+/t21-,22-,23+,24+,25-,30+,31?,33-,34?,36-,37+,40+,41?/m1/s1