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SMILES: O=C(O)C(N)Cc1cc(SCC(C(=O)O)N)c(O)c(O)c1 Canonical SMILES: NC(C(=O)O)CSc1cc(CC(C(=O)O)N)cc(c1O)O InChI: InChI=1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20) InChIKey: SXISMOAILJWTID-UHFFFAOYSA-N
CBID:126835 http://www.chembase.cn/molecule-126835.html