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SMILES: c1cc2c(cc1NC(=S)NCCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]1[C@@H]3[C@H](CS1)NC(=O)N3)C1(c3ccc(cc3Oc3c1ccc(c3)O)O)OC2=O Canonical SMILES: O=C(CCCCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2)NCCCCCNC(=S)Nc1ccc2c(c1)C1(OC2=O)c2ccc(cc2Oc2c1ccc(c2)O)O InChI: InChI=1S/C42H50N6O8S2/c49-26-13-16-29-33(22-26)55-34-23-27(50)14-17-30(34)42(29)31-21-25(12-15-28(31)39(53)56-42)46-41(57)45-20-8-2-7-19-44-36(51)10-3-1-6-18-43-37(52)11-5-4-9-35-38-32(24-58-35)47-40(54)48-38/h12-17,21-23,32,35,38,49-50H,1-11,18-20,24H2,(H,43,52)(H,44,51)(H2,45,46,57)(H2,47,48,54)/t32-,35-,38-/m0/s1 InChIKey: YRQXINXZKRVBGQ-INIOENKZSA-N
CBID:130799 http://www.chembase.cn/molecule-130799.html