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SMILES: [C@H]1(C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1c2c(ccc1)CCCC2)NC(=O)/C(=N\OC)/c1nc(N)sc1.S(=O)(=O)(O)O Canonical SMILES: OS(=O)(=O)O.CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1cccc2c1CCCC2 InChI: InChI=1S/C23H24N6O5S2.H2O4S/c1-34-27-16(14-11-36-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(10-35-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28;1-5(2,3)4/h4,6,8,11,17,21H,2-3,5,7,9-10H2,1H3,(H3-,24,25,26,30,32,33);(H2,1,2,3,4)/b27-16-;/t17-,21-;/m1./s1 InChIKey: KYOHRXSGUROPGY-OFNLCGNNSA-N
CBID:163931 http://www.chembase.cn/molecule-163931.html