(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-13-ethyl-17-[ethyl(3-pyridin-2-ylpropyl)amino]-10-fluoranyl-6-methoxy-2,4,6,8,10,14-hexamethyl-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-13-ethyl-17-[ethyl(3-pyridin-2-ylpropyl)amino]-10-fluoranyl-6-methoxy-2,4,6,8,10,14-hexamethyl-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-13-ethyl-17-[ethyl-[3-(2-pyridyl)propyl]amino]-10-fluoro-6-methoxy-2,4,6,8,10,14-hexamethyl-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]-13-ethyl-17-[ethyl-[3-(2-pyridinyl)propyl]amino]-10-fluoro-6-methoxy-2,4,6,8,10,14-hexamethyl-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-13-ethyl-17-[ethyl(3-pyridin-2-ylpropyl)amino]-10-fluoro-6-methoxy-2,4,6,8,10,14-hexamethyl-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-13-ethyl-17-[ethyl-[3-(2-pyridyl)propyl]amino]-10-fluoro-6-methoxy-2,4,6,8,10,14-hexamethyl-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-9,11,16-trione Formula: C41H68FN5O9 MolecularWeight: 794.005123

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2(C(C(C(C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)N)C)N(C(=O)O2)N(CC)CCCC4=CC=CC=N4)C

Isomeric SMILES

CC[C@H]1[C@@]2([C@@H]([C@@H](C([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)C)O)(C)OC)C)N)C)N(C(=O)O2)N(CC)CCCC4=CC=CC=N4)C

InChI

InChI=1S/C41H68FN5O9/c1-13-30-41(9)33(47(38(51)56-41)46(14-2)21-17-19-28-18-15-16-20-44-28)26(5)31(43)24(3)23-39(7,52-12)35(27(6)34(49)40(8,42)37(50)54-30)55-36-32(48)29(45(10)11)22-25(4)53-36/h15-16,18,20,24-27,29-33,35-36,48H,13-14,17,19,21-23,43H2,1-12H3/t24-,25-,26-,27+,29+,30+,31?,32-,33-,35-,36+,39+,40?,41-/m1/s1