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SMILES: [Na+].O=C1N2C(=C(CS[C@@H]2[C@@H]1NC(=O)[C@H](OC=O)c1ccccc1)CSc1nnnn1C)C(=O)[O-] Canonical SMILES: O=CO[C@@H](C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1C)c1ccccc1.[Na+] InChI: InChI=1S/C19H18N6O6S2.Na/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10;/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30);/q;+1/p-1/t12-,14-,17-;/m1./s1 InChIKey: ICZOIXFFVKYXOM-YCLOEFEOSA-M
CBID:104170 http://www.chembase.cn/molecule-104170.html