Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NCCOP(=O)(O)OCC(COC(CCCCC)=O)OC(CCCCC)=O |
InChI | InChI | 1.03 | InChI=1S/C17H34NO8P/c1-3-5-7-9-16(19)23-13-15(26-17(20)10-8-6-4-2)14-25-27(21,22)24-12-11-18/h15H,3-14,18H2,1-2H3,(H,21,22)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | PELYUHWUVHDSSU-HNNXBMFYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC(=O)CCCCC |
SMILES | CACTVS | 3.385 | CCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCC |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)CCCCC |
SMILES | OpenEye OEToolkits | 2.0.4 | CCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCC |