(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-10,10-bis(fluoranyl)-2,4,6,8,14-pentamethyl-5-[(E)-3-quinoxalin-5-ylprop-2-enoxy]-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-10,10-bis(fluoranyl)-2,4,6,8,14-pentamethyl-5-[(E)-3-quinoxalin-5-ylprop-2-enoxy]-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-10,10-difluoro-2,4,6,8,14-pentamethyl-5-[(E)-3-quinoxalin-5-ylallyloxy]-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-10,10-difluoro-2,4,6,8,14-pentamethyl-5-[(E)-3-(5-quinoxalinyl)prop-2-enoxy]-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-10,10-difluoro-2,4,6,8,14-pentamethyl-5-[(E)-3-quinoxalin-5-ylprop-2-enoxy]-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-10,10-difluoro-2,4,6,8,14-pentamethyl-5-[(E)-3-quinoxalin-5-ylallyloxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C40H54F2N4O10 MolecularWeight: 788.874366

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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)(F)F)C)OC3C(C(CC(O3)C)N(C)C)O)C)OCC=CC4=C5C(=CC=C4)N=CC=N5)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)(F)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)OC/C=C/C4=C5C(=CC=C4)N=CC=N5)C)C)NC(=O)O2)C

InChI

InChI=1S/C40H54F2N4O10/c1-10-28-39(7)34(45-38(51)56-39)22(4)30(47)21(3)32(52-18-12-14-25-13-11-15-26-29(25)44-17-16-43-26)23(5)33(24(6)35(49)40(41,42)37(50)54-28)55-36-31(48)27(46(8)9)19-20(2)53-36/h11-17,20-24,27-28,31-34,36,48H,10,18-19H2,1-9H3,(H,45,51)/b14-12+/t20-,21+,22-,23-,24-,27+,28+,31-,32+,33+,34?,36+,39-/m1/s1