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SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n1cnc2c1nc(nc2N)NCCc1ccc(cc1)CCC(=O)O)O)O.O.Cl Canonical SMILES: CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(NCCc1ccc(cc1)CCC(=O)O)nc2N.O.Cl InChI: InChI=1S/C23H29N7O6.ClH.H2O/c1-2-25-21(35)18-16(33)17(34)22(36-18)30-11-27-15-19(24)28-23(29-20(15)30)26-10-9-13-5-3-12(4-6-13)7-8-14(31)32;;/h3-6,11,16-18,22,33-34H,2,7-10H2,1H3,(H,25,35)(H,31,32)(H3,24,26,28,29);1H;1H2/t16-,17+,18-,22+;;/m0../s1 InChIKey: VIRPCGAECNOLOO-VBQNEDDFSA-N
CBID:155197 http://www.chembase.cn/molecule-155197.html