Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(OCC(NC(=O)CCCCCCCCCCC)CCCC)(OCCO)O |
SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@](O)(=O)OCCO |
SMILES | CACTVS | 3.341 | CCCCCCCCCCCC(=O)N[CH](CCCC)CO[P](O)(=O)OCCO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@@](=O)(O)OCCO |
SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCC(=O)NC(CCCC)COP(=O)(O)OCCO |
InChI | InChI | 1.03 | InChI=1S/C20H42NO6P/c1-3-5-7-8-9-10-11-12-13-15-20(23)21-19(14-6-4-2)18-27-28(24,25)26-17-16-22/h19,22H,3-18H2,1-2H3,(H,21,23)(H,24,25)/t19-/m1/s1 |
InChIKey | InChI | 1.03 | SLLQAGCLXXPCKZ-LJQANCHMSA-N |