N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[5-(5-azanyl-1,2,4-thiadiazol-3-yl)pyridin-2-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-6-fluoranyl-2,6,8,10,16,18-hexamethyl-2-oxidanyl-5,7-bis(oxidanylidene)-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]ethanamide

Systemtic Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[5-(5-azanyl-1,2,4-thiadiazol-3-yl)pyridin-2-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-3-ethyl-6-fluoranyl-2,6,8,10,16,18-hexamethyl-2-oxidanyl-5,7-bis(oxidanylidene)-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]ethanamide Openeye Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[5-(5-amino-1,2,4-thiadiazol-3-yl)-2-pyridyl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide CAS Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[5-(5-amino-1,2,4-thiadiazol-3-yl)-2-pyridinyl]methoxyimino]-9-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide IUPAC Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[5-(5-amino-1,2,4-thiadiazol-3-yl)pyridin-2-yl]methoxyimino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide Traditional Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-13-[[5-(5-amino-1,2,4-thiadiazol-3-yl)-2-pyridyl]methyloximino]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3-ethyl-6-fluoro-2-hydroxy-5,7-diketo-2,6,8,10,16,18-hexamethyl-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide Formula: C42H62FN7O11S MolecularWeight: 892.045383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C2C(C(=NC(=O)C)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)(OCC(=NOCC4=NC=C(C=C4)C5=NSC(=N5)N)CO2)C)C)C)(C)O

Isomeric SMILES

CC[C@@H]1[C@@]([C@@H]2[C@H](C(=NC(=O)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)(OC/C(=N/OCC4=NC=C(C=C4)C5=NSC(=N5)N)/CO2)C)C)C)(C)O

InChI

InChI=1S/C42H62FN7O11S/c1-12-30-42(9,55)35-23(4)31(46-25(6)51)21(2)16-40(7,57-19-28(18-56-35)48-58-20-27-14-13-26(17-45-27)36-47-39(44)62-49-36)34(24(5)33(53)41(8,43)38(54)60-30)61-37-32(52)29(50(10)11)15-22(3)59-37/h13-14,17,21-24,29-30,32,34-35,37,52,55H,12,15-16,18-20H2,1-11H3,(H2,44,47,49)/b46-31?,48-28+/t21-,22-,23+,24+,29+,30-,32-,34-,35+,37+,40-,41+,42-/m1/s1