Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC1(OC(C(=O)NO)C(COP(O)(=O)O)O1)C |
InChI | InChI | 1.03 | InChI=1S/C7H14NO8P/c1-7(2)15-4(3-14-17(11,12)13)5(16-7)6(9)8-10/h4-5,10H,3H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-/m1/s1 |
InChIKey | InChI | 1.03 | DVFAQEVWJBLFDS-RFZPGFLSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)O[C@H](CO[P](O)(O)=O)[C@@H](O1)C(=O)NO |
SMILES | CACTVS | 3.385 | CC1(C)O[CH](CO[P](O)(O)=O)[CH](O1)C(=O)NO |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(O[C@@H]([C@@H](O1)C(=O)NO)COP(=O)(O)O)C |
SMILES | OpenEye OEToolkits | 2.0.6 | CC1(OC(C(O1)C(=O)NO)COP(=O)(O)O)C |