Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC1C([NH3+])CC(C(O)C1O)[NH3+] |
SMILES_CANONICAL | CACTVS | 3.341 | [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.341 | [NH3+][CH]1C[CH]([NH3+])[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]([C@@H](C([C@@H]([C@H]1[NH3+])O)O)O)[NH3+] |
SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(C(C1[NH3+])O)O)O)[NH3+] |
InChI | InChI | 1.03 | InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+2/t2-,3+,4+,5-,6- |
InChIKey | InChI | 1.03 | DTFAJAKTSMLKAT-JDCCYXBGSA-P |