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SMILES: O=C1N2C(=C(CS[C@@H]2[C@@H]1NC(=O)CCC[C@H](C(=O)O)N)COC(=O)C)C(=O)O Canonical SMILES: O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)COC(=O)C)CCC[C@H](C(=O)O)N InChI: InChI=1S/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)/t9-,11-,14-/m1/s1 InChIKey: HOKIDJSKDBPKTQ-GLXFQSAKSA-N
CBID:3003 http://www.chembase.cn/molecule-3003.html