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SMILES: CCCC(=O)Nc1[nH]c(=O)c2c(n1)n(c(n2)Br)[C@H]1[C@@H]([C@H]2[C@H](O1)COP(=O)(O2)[O-])OC(=O)CCC.O.[Na+].O Canonical SMILES: CCCC(=O)O[C@@H]1[C@@H]2OP(=O)([O-])OC[C@H]2O[C@H]1n1c(Br)nc2c1nc(NC(=O)CCC)[nH]c2=O.O.O.[Na+] InChI: InChI=1S/C18H23BrN5O9P.Na.2H2O/c1-3-5-9(25)20-18-22-14-11(15(27)23-18)21-17(19)24(14)16-13(32-10(26)6-4-2)12-8(31-16)7-30-34(28,29)33-12;;;/h8,12-13,16H,3-7H2,1-2H3,(H,28,29)(H2,20,22,23,25,27);;2*1H2/q;+1;;/p-1/t8-,12-,13-,16-;;;/m1.../s1 InChIKey: OAYGQEGFWDXWTN-AVZZNAHOSA-M
CBID:156148 http://www.chembase.cn/molecule-156148.html