Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1C(C(=O)O)CCC1)COP(=O)(O)OP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@@H]1CCCN1C(=O)CO[P](O)(=O)O[P](O)(O)=O |
SMILES | CACTVS | 3.370 | OC(=O)[CH]1CCCN1C(=O)CO[P](O)(=O)O[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1C[C@H](N(C1)C(=O)CO[P@](=O)(O)OP(=O)(O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | C1CC(N(C1)C(=O)COP(=O)(O)OP(=O)(O)O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/t5-/m0/s1 |
InChIKey | InChI | 1.03 | JFTJDUMMWOSHFL-YFKPBYRVSA-N |