Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Nc1sc(c(C)c1C(=O)OCC)C(N)=O)C1CCCCC1C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C17H22N2O6S/c1-3-25-17(24)11-8(2)12(13(18)20)26-15(11)19-14(21)9-6-4-5-7-10(9)16(22)23/h9-10H,3-7H2,1-2H3,(H2,18,20)(H,19,21)(H,22,23)/t9-,10+/m0/s1 |
InChIKey | InChI | 1.06 | AGKODQIAZDTMGB-VHSXEESVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1c(C)c(sc1NC(=O)[C@H]2CCCC[C@H]2C(O)=O)C(N)=O |
SMILES | CACTVS | 3.385 | CCOC(=O)c1c(C)c(sc1NC(=O)[CH]2CCCC[CH]2C(O)=O)C(N)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1c(c(sc1NC(=O)[C@H]2CCCC[C@H]2C(=O)O)C(=O)N)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1c(c(sc1NC(=O)C2CCCCC2C(=O)O)C(=O)N)C |