(1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethenyl-13-ethyl-6-methoxy-2,4,6,8,10-pentamethyl-17-[2-[methyl-[(6-pyridin-3-ylpyridin-3-yl)methyl]amino]ethyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone

Systemtic Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethenyl-13-ethyl-6-methoxy-2,4,6,8,10-pentamethyl-17-[2-[methyl-[(6-pyridin-3-ylpyridin-3-yl)methyl]amino]ethyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10-pentamethyl-17-[2-[methyl-[[6-(3-pyridyl)-3-pyridyl]methyl]amino]ethyl]-14-vinyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethenyl-13-ethyl-6-methoxy-2,4,6,8,10-pentamethyl-17-[2-[methyl-[[6-(3-pyridinyl)-3-pyridinyl]methyl]amino]ethyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethenyl-13-ethyl-6-methoxy-2,4,6,8,10-pentamethyl-17-[2-[methyl-[(6-pyridin-3-ylpyridin-3-yl)methyl]amino]ethyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (1R,2R,4R,6R,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-6-methoxy-2,4,6,8,10-pentamethyl-17-[2-[methyl-[[6-(3-pyridyl)-3-pyridyl]methyl]amino]ethyl]-14-vinyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C46H67N5O10 MolecularWeight: 850.05168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)C)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCN(C)CC4=CN=C(C=C4)C5=CN=CC=C5)C=C

Isomeric SMILES

CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCN(C)CC4=CN=C(C=C4)C5=CN=CC=C5)C=C

InChI

InChI=1S/C46H67N5O10/c1-13-36-46(14-2)40(51(44(56)61-46)21-20-50(11)26-32-17-18-34(48-24-32)33-16-15-19-47-25-33)29(5)37(52)27(3)23-45(8,57-12)41(30(6)38(53)31(7)42(55)59-36)60-43-39(54)35(49(9)10)22-28(4)58-43/h14-19,24-25,27-31,35-36,39-41,43,54H,2,13,20-23,26H2,1,3-12H3/t27-,28-,29+,30+,31-,35+,36-,39-,40-,41-,43+,45-,46-/m1/s1