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SMILES: O=C1[C@@H](NC(=O)/C(=N\OC)/c2csc(N)n2)[C@H]2SCC(=C(C(=O)O)N12)C[n+]1cccc2c1CCC2.[O-]S(=O)(=O)O Canonical SMILES: [O-]S(=O)(=O)O.CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)O)C[n+]1cccc2c1CCC2)/c1csc(n1)N InChI: InChI=1S/C22H22N6O5S2.H2O4S/c1-33-26-15(13-10-35-22(23)24-13)18(29)25-16-19(30)28-17(21(31)32)12(9-34-20(16)28)8-27-7-3-5-11-4-2-6-14(11)27;1-5(2,3)4/h3,5,7,10,16,20H,2,4,6,8-9H2,1H3,(H3-,23,24,25,29,31,32);(H2,1,2,3,4)/b26-15-;/t16-,20-;/m1./s1 InChIKey: RKTNPKZEPLCLSF-QHBKFCFHSA-N
CBID:293665 http://www.chembase.cn/molecule-293665.html