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SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc1ccccc1)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc1ccccc1)C(=O)O)C.c1ccc(cc1)CNCCNCc1ccccc1.O Canonical SMILES: C(NCc1ccccc1)CNCc1ccccc1.O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)Cc1ccccc1.O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)Cc1ccccc1.O InChI: InChI=1S/2C16H18N2O4S.C16H20N2.H2O/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2;1H2/t2*11-,12+,14-;;/m11../s1 InChIKey: OODAAHXHBAWPJQ-ZLOILWTKSA-N
CBID:131048 http://www.chembase.cn/molecule-131048.html