(2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-1-[4-[6-[3-(dimethylamino)propoxy]pyridin-3-yl]phenyl]-3-fluoranyl-1-methoxy-propan-2-yl]-1,2,3-triazol-4-yl]ethyl-methyl-amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,14-hexamethyl-3,4,10-tris(oxidanyl)-1-oxa-6-azacyclopentadecan-15-one

Systemtic Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-1-[4-[6-[3-(dimethylamino)propoxy]pyridin-3-yl]phenyl]-3-fluoranyl-1-methoxy-propan-2-yl]-1,2,3-triazol-4-yl]ethyl-methyl-amino]-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,14-hexamethyl-3,4,10-tris(oxidanyl)-1-oxa-6-azacyclopentadecan-15-one Openeye Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-[2-[1-[(1S,2R)-2-[4-[6-[3-(dimethylamino)propoxy]-3-pyridyl]phenyl]-1-(fluoromethyl)-2-methoxy-ethyl]triazol-4-yl]ethyl-methyl-amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,6,8,10,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one CAS Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-1-[4-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]phenyl]-3-fluoro-1-methoxypropan-2-yl]-4-triazolyl]ethyl-methylamino]-3-hydroxy-6-methyl-2-oxanyl]oxy]-2-ethyl-3,4,10-trihydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,6,8,10,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one IUPAC Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-[2-[1-[(1R,2S)-1-[4-[6-[3-(dimethylamino)propoxy]pyridin-3-yl]phenyl]-3-fluoro-1-methoxypropan-2-yl]triazol-4-yl]ethyl-methylamino]-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one Traditional Name: (2R,3S,4R,5R,8R,10R,11R,13S,14R)-11-[(2S,3R,4S,6R)-4-[2-[1-[(1S,2R)-2-[4-[6-[3-(dimethylamino)propoxy]-3-pyridyl]phenyl]-1-(fluoromethyl)-2-methoxy-ethyl]triazol-4-yl]ethyl-methyl-amino]-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,6,8,10,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one Formula: C60H98FN7O14 MolecularWeight: 1160.457023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C(C(N(CC(CC(C(CC(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)OC3C(C(CC(O3)C)N(C)CCC4=CN(N=N4)C(CF)C(C5=CC=C(C=C5)C6=CN=C(C=C6)OCCCN(C)C)OC)O)(C)O)C)C)C)O)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H](C[C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)CCC4=CN(N=N4)[C@H](CF)[C@@H](C5=CC=C(C=C5)C6=CN=C(C=C6)OCCCN(C)C)OC)O)(C)O)C)C)C)O)(C)O

InChI

InChI=1S/C60H98FN7O14/c1-16-48-60(9,74)54(70)39(5)67(13)34-36(2)30-58(7,73)49(29-47(38(4)56(72)81-48)80-51-31-59(8,76-15)55(71)40(6)79-51)82-57-52(69)45(28-37(3)78-57)66(12)26-24-44-35-68(64-63-44)46(32-61)53(75-14)42-20-18-41(19-21-42)43-22-23-50(62-33-43)77-27-17-25-65(10)11/h18-23,33,35-40,45-49,51-55,57,69-71,73-74H,16-17,24-32,34H2,1-15H3/t36-,37-,38-,39-,40+,45+,46-,47+,48-,49-,51+,52-,53-,54-,55+,57+,58-,59-,60-/m1/s1