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SMILES: [Na+].[Na+].O=C1N2C(=C(CO[C@@H]2[C@]1(OC)NC(=O)C(c1ccc(O)cc1)C(=O)[O-])CSc1nnnn1C)C(=O)[O-] Canonical SMILES: CO[C@@]1(NC(=O)C(c2ccc(cc2)O)C(=O)[O-])C(=O)N2[C@@H]1OCC(=C2C(=O)[O-])CSc1nnnn1C.[Na+].[Na+] InChI: InChI=1S/C20H20N6O9S.2Na/c1-25-19(22-23-24-25)36-8-10-7-35-18-20(34-2,17(33)26(18)13(10)16(31)32)21-14(28)12(15(29)30)9-3-5-11(27)6-4-9;;/h3-6,12,18,27H,7-8H2,1-2H3,(H,21,28)(H,29,30)(H,31,32);;/q;2*+1/p-2/t12?,18-,20+;;/m1../s1 InChIKey: GRIXGZQULWMCLU-HUTAOCTPSA-L
CBID:105900 http://www.chembase.cn/molecule-105900.html