種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C1C(Oc2c(C1)c(C)c(O)c(c2C)C)(COc3ccc(cc3)CC4SC(NC4=O)=O)C |
InChI | InChI | 1.03 | InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)/t19-,24+/m0/s1 |
InChIKey | InChI | 1.03 | GXPHKUHSUJUWKP-YADARESESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1c(C)c2O[C@](C)(CCc2c(C)c1O)COc3ccc(C[C@@H]4SC(=O)NC4=O)cc3 |
SMILES | CACTVS | 3.385 | Cc1c(C)c2O[C](C)(CCc2c(C)c1O)COc3ccc(C[CH]4SC(=O)NC4=O)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(cc3)C[C@H]4C(=O)NC(=O)S4)C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(c2c(c(c1O)C)CCC(O2)(C)COc3ccc(cc3)CC4C(=O)NC(=O)S4)C |