Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(C(C)C)C3N(C(=O)c1nc(oc1)CN2CCCC2)CCC3NS(=O)(=O)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@@H]([C@H]1[C@@H](CCN1C(=O)c2coc(CN3CCCC3)n2)N[S](C)(=O)=O)C(O)=O |
SMILES | CACTVS | 3.341 | CC(C)[CH]([CH]1[CH](CCN1C(=O)c2coc(CN3CCCC3)n2)N[S](C)(=O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@@H]([C@H]1[C@@H](CCN1C(=O)c2coc(n2)CN3CCCC3)NS(=O)(=O)C)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(C1C(CCN1C(=O)c2coc(n2)CN3CCCC3)NS(=O)(=O)C)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H30N4O6S/c1-12(2)16(19(25)26)17-13(21-30(3,27)28)6-9-23(17)18(24)14-11-29-15(20-14)10-22-7-4-5-8-22/h11-13,16-17,21H,4-10H2,1-3H3,(H,25,26)/t13-,16+,17-/m1/s1 |
InChIKey | InChI | 1.03 | PWBJTGRBTWYVSH-XOKHGSTOSA-N |