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SMILES: c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC1=Nc2c([nH]c(nc2=O)N)NC1.O.O Canonical SMILES: OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)NCC1=Nc2c(NC1)[nH]c(nc2=O)N.O.O InChI: InChI=1S/C19H21N7O6.2H2O/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28;;/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30);2*1H2/t12-;;/m0../s1 InChIKey: UOHHAQNWTOGSOL-LTCKWSDVSA-N
CBID:147482 http://www.chembase.cn/molecule-147482.html