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SMILES: C1[C@H](C[C@@H]2[C@](C1)([C@@H]1C(C3(C2)N=N3)[C@H]2[C@]([C@H](C1)O)([C@H](CC2)[C@@H](CCC(=O)NCCS(=O)(=O)[O-])C)C)C)O.[Na+] Canonical SMILES: O[C@@H]1CC[C@]2([C@@H](C1)CC1(C3[C@@H]2C[C@H](O)[C@]2([C@H]3CC[C@@H]2[C@@H](CCC(=O)NCCS(=O)(=O)[O-])C)C)N=N1)C.[Na+] InChI: InChI=1S/C26H43N3O6S.Na/c1-15(4-7-22(32)27-10-11-36(33,34)35)18-5-6-19-23-20(13-21(31)25(18,19)3)24(2)9-8-17(30)12-16(24)14-26(23)28-29-26;/h15-21,23,30-31H,4-14H2,1-3H3,(H,27,32)(H,33,34,35);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21+,23?,24+,25-;/m1./s1 InChIKey: SBGNLQGGOAWPRY-UCXUEGNZSA-M
CBID:161089 http://www.chembase.cn/molecule-161089.html