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SMILES: CCN(CC)CCOC(=O)c1ccc(cc1)N.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc1ccccc1)C(=O)O)C.O Canonical SMILES: O=C(N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)Cc1ccccc1.CCN(CCOC(=O)c1ccc(cc1)N)CC.O InChI: InChI=1S/C16H18N2O4S.C13H20N2O2.H2O/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3;1H2/t11-,12+,14-;;/m1../s1 InChIKey: KZDCMKVLEYCGQX-UDPGNSCCSA-N
CBID:131659 http://www.chembase.cn/molecule-131659.html