Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(OCC(OC(=O)NCCCC)COC(=O)NCCCC)CCCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCNC(=O)OC[C@H](CO[P@H](=O)CCCC)OC(=O)NCCCC |
SMILES | CACTVS | 3.341 | CCCCNC(=O)OC[CH](CO[PH](=O)CCCC)OC(=O)NCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCNC(=O)OC[C@H](CO[P@H](=O)CCCC)OC(=O)NCCCC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCNC(=O)OCC(COP(=O)CCCC)OC(=O)NCCCC |
InChI | InChI | 1.03 | InChI=1S/C17H35N2O6P/c1-4-7-10-18-16(20)23-13-15(14-24-26(22)12-9-6-3)25-17(21)19-11-8-5-2/h15,26H,4-14H2,1-3H3,(H,18,20)(H,19,21)/t15-/m1/s1 |
InChIKey | InChI | 1.03 | QWIXWBNJNKHHHW-OAHLLOKOSA-N |