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

Systemtic Name: (1R,2R,4R,6S,7R,8R,13S,14S)-3-azanyl-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-17-[ethyl(methyl)amino]-10-fluoranyl-2,4,6,8,10,13,14-heptamethyl-6-[(E)-3-pyridin-4-ylprop-2-enoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione Openeye Name: (1R,2R,4R,6S,7R,8R,13S,14S)-3-amino-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-17-[ethyl(methyl)amino]-10-fluoro-2,4,6,8,10,13,14-heptamethyl-6-[(E)-3-(4-pyridyl)allyloxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione CAS Name: (1R,2R,4R,6S,7R,8R,13S,14S)-3-amino-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-17-[ethyl(methyl)amino]-10-fluoro-2,4,6,8,10,13,14-heptamethyl-6-[(E)-3-pyridin-4-ylprop-2-enoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione IUPAC Name: (1R,2R,4R,6S,7R,8R,13S,14S)-3-amino-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-17-[ethyl(methyl)amino]-10-fluoro-2,4,6,8,10,13,14-heptamethyl-6-[(E)-3-pyridin-4-ylprop-2-enoxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione Traditional Name: (1R,2R,4R,6S,7R,8R,13S,14S)-3-amino-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-17-[ethyl(methyl)amino]-10-fluoro-2,4,6,8,10,13,14-heptamethyl-6-[(E)-3-(4-pyridyl)allyloxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione Formula: C40H64FN5O9 MolecularWeight: 777.962663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C)N1C2C(C(C(CC(C(C(C(=O)C(C(=O)OC(C2(OC1=O)C)C)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OCC=CC4=CC=NC=C4)C)N)C

Isomeric SMILES

CCN(C)N1[C@@H]2[C@@H](C([C@@H](C[C@]([C@@H]([C@H](C(=O)C(C(=O)O[C@H]([C@]2(OC1=O)C)C)(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=CC=NC=C4)C)N)C

InChI

InChI=1S/C40H64FN5O9/c1-13-45(12)46-32-25(4)30(42)23(2)22-38(7,51-20-14-15-28-16-18-43-19-17-28)34(54-35-31(47)29(44(10)11)21-24(3)52-35)26(5)33(48)39(8,41)36(49)53-27(6)40(32,9)55-37(46)50/h14-19,23-27,29-32,34-35,47H,13,20-22,42H2,1-12H3/b15-14+/t23-,24-,25-,26+,27+,29+,30?,31-,32-,34-,35+,38+,39?,40-/m1/s1