提示: 按住Ctrl键可以同时选择多个官能团
SMILES: CCC1=C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CN(C2)C1)(c1cc2c(cc1OC)N([C@@H]1[C@@]32CCN2[C@H]3[C@@](C=CC2)([C@H]([C@@]1(C(=O)OC)O)OC(=O)C)CC)C)C(=O)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.O Canonical SMILES: OC(=O)[C@@H]([C@H](C(=O)O)O)O.OC(=O)[C@@H]([C@H](C(=O)O)O)O.CCC1=C[C@H]2CN(C1)Cc1c3ccccc3[nH]c1[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N([C@@H]1[C@@]32CCN2[C@H]3[C@@](CC)(C=CC2)[C@H]([C@]1(O)C(=O)OC)OC(=O)C)C.O InChI: InChI=1S/C45H54N4O8.2C4H6O6.H2O/c1-8-27-19-28-22-44(40(51)55-6,36-30(25-48(23-27)24-28)29-13-10-11-14-33(29)46-36)32-20-31-34(21-35(32)54-5)47(4)38-43(31)16-18-49-17-12-15-42(9-2,37(43)49)39(57-26(3)50)45(38,53)41(52)56-7;2*5-1(3(7)8)2(6)4(9)10;/h10-15,19-21,28,37-39,46,53H,8-9,16-18,22-25H2,1-7H3;2*1-2,5-6H,(H,7,8)(H,9,10);1H2/t28-,37-,38+,39+,42+,43+,44-,45-;2*1-,2-;/m011./s1 InChIKey: ZLIPKSVXTCRHIB-GNBHHJMASA-N
CBID:154137 http://www.chembase.cn/molecule-154137.html