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SMILES: N12[C@@H]([C@@H](C2=O)NC(=O)/C(=N\OC)/c2csc(n2)N)SCC(=C1C(=O)[O-])CSc1n(nc(c(=O)n1)[O-])C.[Na+].[Na+].O.O.O Canonical SMILES: CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nc(=O)c(nn1C)[O-].O.O.O.[Na+].[Na+] InChI: InChI=1S/C18H18N8O7S3.2Na.3H2O/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7;;;;;/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32);;;3*1H2/q;2*+1;;;/p-2/b24-8-;;;;;/t9-,15-;;;;;/m1...../s1 InChIKey: XMCDZRXQAGFWAK-PMCOHIMVSA-L
CBID:312979 http://www.chembase.cn/molecule-312979.html