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SMILES: c1cc[n+](cc1)CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc2cccs2)SC1)C(=O)[O-].O Canonical SMILES: O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccccc1)Cc1cccs1.O InChI: InChI=1S/C19H17N3O4S2.H2O/c23-14(9-13-5-4-8-27-13)20-15-17(24)22-16(19(25)26)12(11-28-18(15)22)10-21-6-2-1-3-7-21;/h1-8,15,18H,9-11H2,(H-,20,23,25,26);1H2/t15-,18-;/m1./s1 InChIKey: KZYZSCXFERELNV-KQKCUOLZSA-N
CBID:138290 http://www.chembase.cn/molecule-138290.html