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SMILES: c12c([nH]c3c1CCN1C[C@@H](C[C@]3(C(=O)OC)c3c(cc4c(c3)[C@@]35[C@@H](N4C)[C@]([C@@H]([C@]4(C3N(CC=C4)CC5)CC)OC(=O)C)(C(=O)OC)O)OC)C[C@](C1)(CC)O)cccc2.S(=O)(=O)(O)O Canonical SMILES: OS(=O)(=O)O.COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(C[C@@H]2CN(CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CCN1C4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1 InChI: InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37?,38-,39-,42+,43-,44-,45+,46+;/m1./s1 InChIKey: KDQAABAKXDWYSZ-DBBOTOCRSA-N
CBID:179503 http://www.chembase.cn/molecule-179503.html