Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCC)CCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C22H42NO10P/c1-3-5-7-9-11-13-20(24)30-15-18(33-21(25)14-12-10-8-6-4-2)16-31-34(28,29)32-17-19(23)22(26)27/h18-19H,3-17,23H2,1-2H3,(H,26,27)(H,28,29)/t18-,19+/m1/s1 |
InChIKey | InChI | 1.03 | TWOCGGYLNFTSJO-MOPGFXCFSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC |
SMILES | CACTVS | 3.370 | CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC |
SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCC |