Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CN1CCN(CCN(CCN(CC(O)C)CC1)CC(=O)O)CC(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](O)CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O |
SMILES | CACTVS | 3.341 | C[CH](O)CN1CCN(CCN(CCN(CC1)CC(O)=O)CC(O)=O)CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H](CN1CC[N@](CCN(CC[N@](CC1)CC(=O)O)CC(=O)O)CC(=O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C17H32N4O7/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | IQUHNCOJRJBMSU-CQSZACIVSA-N |