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SMILES: n1c([nH]c2c(c1=O)N(C(CN2)CNc1ccc(cc1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=O)N.[Ca+2].O.O.O.O.O Canonical SMILES: O=CN1C(CNc2ccc(cc2)C(=O)N[C@H](C(=O)[O-])CCC(=O)[O-])CNc2c1c(=O)nc([nH]2)N.O.O.O.O.O.[Ca+2] InChI: InChI=1S/C20H23N7O7.Ca.5H2O/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30;;;;;;/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32);;5*1H2/q;+2;;;;;/p-2/t12?,13-;;;;;;/m0....../s1 InChIKey: NPPBLUASYYNAIG-ZIGBGYJWSA-L
CBID:72586 http://www.chembase.cn/molecule-72586.html