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-[2-[1-[[(5R)-3-(3-fluoranyl-4-morpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]-1,2,3-triazol-4-yl]ethyl-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-[2-[1-[[(5R)-3-(3-fluoranyl-4-morpholin-4-yl-phenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]-1,2,3-triazol-4-yl]ethyl-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-[2-[1-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-oxo-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-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-[2-[1-[[(5R)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-4-triazolyl]ethyl-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-[2-[1-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-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-[2-[1-[[(5R)-3-(3-fluoro-4-morpholino-phenyl)-2-keto-oxazolidin-5-yl]methyl]triazol-4-yl]ethyl-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: C56H83FN6O17 MolecularWeight: 1131.286623

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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)CCC3=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)CCC3=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/C56H83FN6O17/c1-10-45-37(30-75-55-53(73-9)52(72-8)49(69)35(6)77-55)23-31(2)11-14-43(65)32(3)24-36(16-20-64)51(33(4)44(66)26-46(67)79-45)80-54-50(70)47(48(68)34(5)76-54)60(7)17-15-38-27-62(59-58-38)28-40-29-63(56(71)78-40)39-12-13-42(41(57)25-39)61-18-21-74-22-19-61/h11-14,20,23,25,27,32-37,40,44-45,47-55,66,68-70H,10,15-19,21-22,24,26,28-30H2,1-9H3/b14-11+,31-23+/t32-,33+,34-,35-,36+,37-,40+,44-,45-,47+,48-,49-,50-,51-,52-,53-,54+,55-/m1/s1