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

Systemtic Name: (1R,2R,4R,6R,7R,8R,10S,13R,14S)-13-ethyl-7-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-10-fluoranyl-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[3-(4-pyridin-3-ylphenoxy)propyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Openeye Name: (1R,2R,4R,6R,7R,8R,10S,13R,14S)-13-ethyl-7-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-fluoro-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[3-[4-(3-pyridyl)phenoxy]propyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone CAS Name: (1R,2R,4R,6R,7R,8R,10S,13R,14S)-13-ethyl-7-[[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyl-2-oxanyl]oxy]-10-fluoro-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[3-[4-(3-pyridinyl)phenoxy]propyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone IUPAC Name: (1R,2R,4R,6R,7R,8R,10S,13R,14S)-13-ethyl-7-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-10-fluoro-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[3-(4-pyridin-3-ylphenoxy)propyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone Traditional Name: (1R,2R,4R,6R,7R,8R,10S,13R,14S)-13-ethyl-7-[(2S,3R,4S,6R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-10-fluoro-6-methoxy-2,4,6,8,10,14-hexamethyl-17-[3-[4-(3-pyridyl)phenoxy]propyl]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-diquinone Formula: C46H66FN3O11 MolecularWeight: 856.028143

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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)F)C)OC3C(C(CC(O3)C)N(C)CC)O)(C)OC)C)C)N(C(=O)O2)CCCOC4=CC=C(C=C4)C5=CN=CC=C5)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@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)CC)O)(C)OC)C)C)N(C(=O)O2)CCCOC4=CC=C(C=C4)C5=CN=CC=C5)C

InChI

InChI=1S/C46H66FN3O11/c1-12-35-46(9)38(50(43(55)61-46)22-15-23-57-33-19-17-31(18-20-33)32-16-14-21-48-26-32)29(5)36(51)27(3)25-44(7,56-11)40(30(6)39(53)45(8,47)42(54)59-35)60-41-37(52)34(49(10)13-2)24-28(4)58-41/h14,16-21,26-30,34-35,37-38,40-41,52H,12-13,15,22-25H2,1-11H3/t27-,28-,29+,30+,34+,35-,37-,38-,40-,41+,44-,45+,46-/m1/s1