O4-[2-[2,4-bis(fluoranyl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] O1-[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-(hydroxymethyl)-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-oxan-3-yl] butanedioate

Systemtic Name: O4-[2-[2,4-bis(fluoranyl)phenyl]-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] O1-[(2S,3R,4S,6R)-4-(dimethylamino)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-(hydroxymethyl)-13-[(2R,4R,5S,6S)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-3,4,10-tris(oxidanyl)-15-oxidanylidene-1-oxa-6-azacyclopentadec-11-yl]oxy]-6-methyl-oxan-3-yl] butanedioate Openeye Name: O4-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-(1,2,4-triazol-1-ylmethyl)ethyl] O1-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-2-(hydroxymethyl)-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]tetrahydropyran-3-yl] butanedioate CAS Name: butanedioic acid O4-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] ester O1-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-3,4,10-trihydroxy-13-[[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-2-(hydroxymethyl)-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-oxanyl] ester IUPAC Name: 4-O-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] 1-O-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2-(hydroxymethyl)-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]oxan-3-yl] butanedioate Traditional Name: succinic acid O4-[1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)-1-(1,2,4-triazol-1-ylmethyl)ethyl] ester O1-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-15-keto-3,5,6,8,10,12,14-heptamethyl-2-methylol-1-oxa-6-azacyclopentadec-11-yl]oxy]tetrahydropyran-3-yl] ester Formula: C54H84F2N8O16 MolecularWeight: 1139.285566

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(O1)OC2C(C(C(C(=O)OC(C(C(C(N(CC(CC2(C)O)C)C)C)O)(C)O)CO)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC(=O)CCC(=O)OC(CN4C=NC=N4)(CN5C=NC=N5)C6=C(C=C(C=C6)F)F)N(C)C

Isomeric SMILES

C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]2(C)O)C)C)C)O)(C)O)CO)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)OC(=O)CCC(=O)OC(CN4C=NC=N4)(CN5C=NC=N5)C6=C(C=C(C=C6)F)F)N(C)C

InChI

InChI=1S/C54H84F2N8O16/c1-30-20-51(7,71)48(32(3)44(78-43-21-52(8,73-13)47(69)35(6)75-43)33(4)49(70)76-40(23-65)53(9,72)46(68)34(5)62(12)22-30)79-50-45(39(61(10)11)18-31(2)74-50)77-41(66)16-17-42(67)80-54(24-63-28-57-26-59-63,25-64-29-58-27-60-64)37-15-14-36(55)19-38(37)56/h14-15,19,26-35,39-40,43-48,50,65,68-69,71-72H,16-18,20-25H2,1-13H3/t30-,31-,32+,33-,34-,35+,39+,40-,43+,44+,45-,46-,47+,48-,50+,51-,52-,53-/m1/s1