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SMILES: [C@@H]1([C@@H]([C@@H]([C@@H](O[C@H]1C(=O)O)OC(=O)C[C@@H](C[C@H](O)/C=C/c1c(nc(nc1C(C)C)N(S(=O)(=O)C)C)c1ccc(cc1)F)O)O)O)O Canonical SMILES: O[C@@H](C[C@H](CC(=O)O[C@@H]1O[C@@H](C(=O)O)[C@H]([C@@H]([C@@H]1O)O)O)O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C InChI: InChI=1S/C28H36FN3O12S/c1-13(2)20-18(21(14-5-7-15(29)8-6-14)31-28(30-20)32(3)45(4,41)42)10-9-16(33)11-17(34)12-19(35)43-27-24(38)22(36)23(37)25(44-27)26(39)40/h5-10,13,16-17,22-25,27,33-34,36-38H,11-12H2,1-4H3,(H,39,40)/b10-9+/t16-,17-,22+,23+,24-,25+,27-/m1/s1 InChIKey: AWGDNYJLUILGBY-ZYBQEGLCSA-N
CBID:177612 http://www.chembase.cn/molecule-177612.html