N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-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)-13-[(5-pyrimidin-2-ylthiophen-2-yl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]ethanamide

Systemtic Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-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)-13-[(5-pyrimidin-2-ylthiophen-2-yl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]ethanamide Openeye Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-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-13-[(5-pyrimidin-2-yl-2-thienyl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide CAS Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-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-13-[[5-(2-pyrimidinyl)-2-thiophenyl]methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide IUPAC Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-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-13-[(5-pyrimidin-2-ylthiophen-2-yl)methoxyimino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide Traditional Name: N-[(1S,2R,3R,6S,8R,9R,10R,13E,16S,18R)-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-13-[[5-(2-pyrimidyl)-2-thienyl]methyloximino]-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide Formula: C43H62FN5O11S MolecularWeight: 876.042683

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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=CC=C(S4)C5=NC=CC=N5)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=CC=C(S4)C5=NC=CC=N5)/CO2)C)C)C)(C)O

InChI

InChI=1S/C43H62FN5O11S/c1-12-32-43(9,54)37-25(4)33(47-27(6)50)23(2)19-41(7,56-21-28(20-55-37)48-57-22-29-14-15-31(61-29)38-45-16-13-17-46-38)36(26(5)35(52)42(8,44)40(53)59-32)60-39-34(51)30(49(10)11)18-24(3)58-39/h13-17,23-26,30,32,34,36-37,39,51,54H,12,18-22H2,1-11H3/b47-33?,48-28+/t23-,24-,25+,26+,30+,32-,34-,36-,37+,39+,41-,42+,43-/m1/s1