2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-16-ethyl-6-[(2R,3R,4S,5S,6R)-4-[3-[1-[[(5R)-3-(3-fluoranyl-4-morpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]-1,2,3-triazol-4-yl]propyl-methyl-amino]-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal

Systemtic Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-16-ethyl-6-[(2R,3R,4S,5S,6R)-4-[3-[1-[[(5R)-3-(3-fluoranyl-4-morpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]-1,2,3-triazol-4-yl]propyl-methyl-amino]-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-5,9,13-trimethyl-4-oxidanyl-2,10-bis(oxidanylidene)-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal Openeye Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-ethyl-6-[(2R,3R,4S,5S,6R)-4-[3-[1-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]triazol-4-yl]propyl-methyl-amino]-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde CAS Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-ethyl-6-[[(2R,3R,4S,5S,6R)-4-[3-[1-[[(5R)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-4-triazolyl]propyl-methylamino]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde IUPAC Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-ethyl-6-[(2R,3R,4S,5S,6R)-4-[3-[1-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]propyl-methylamino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde Traditional Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-ethyl-6-[(2R,3R,4S,5S,6R)-4-[3-[1-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-keto-oxazolidin-5-yl]methyl]triazol-4-yl]propyl-methyl-amino]-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]-2,10-diketo-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde Formula: C57H85FN6O17 MolecularWeight: 1145.313203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)CCCC3=CN(N=N3)CC4CN(C(=O)O4)C5=CC(=C(C=C5)N6CCOCC6)F)O)CC=O)C)C)COC7C(C(C(C(O7)C)O)OC)OC

Isomeric SMILES

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)CCCC3=CN(N=N3)C[C@H]4CN(C(=O)O4)C5=CC(=C(C=C5)N6CCOCC6)F)O)CC=O)C)\C)CO[C@H]7[C@@H]([C@@H]([C@@H]([C@H](O7)C)O)OC)OC

InChI

InChI=1S/C57H85FN6O17/c1-10-46-38(31-76-56-54(74-9)53(73-8)50(70)36(6)78-56)24-32(2)13-16-44(66)33(3)25-37(17-21-65)52(34(4)45(67)27-47(68)80-46)81-55-51(71)48(49(69)35(5)77-55)61(7)18-11-12-39-28-63(60-59-39)29-41-30-64(57(72)79-41)40-14-15-43(42(58)26-40)62-19-22-75-23-20-62/h13-16,21,24,26,28,33-38,41,45-46,48-56,67,69-71H,10-12,17-20,22-23,25,27,29-31H2,1-9H3/b16-13+,32-24+/t33-,34+,35-,36-,37+,38-,41+,45-,46-,48+,49-,50-,51-,52-,53-,54-,55+,56-/m1/s1