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SMILES: N12[C@@H]([C@@H](C2=O)NC(=O)CSc2ccncc2)SCC(=C1C(=O)[O-])COC(=O)C.[Na+] Canonical SMILES: O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])COC(=O)C)CSc1ccncc1.[Na+] InChI: InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1 InChIKey: VGEOUKPOQQEQSX-OALZAMAHSA-M
CBID:313094 http://www.chembase.cn/molecule-313094.html