Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2N(C)C(CNC(c1ccccc1)CO)C(O)C2O |
SMILES_CANONICAL | CACTVS | 3.341 | CN1[C@H](CN[C@@H](CO)c2ccccc2)[C@@H](O)[C@@H](O)C1=O |
SMILES | CACTVS | 3.341 | CN1[CH](CN[CH](CO)c2ccccc2)[CH](O)[CH](O)C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1[C@@H]([C@H]([C@H](C1=O)O)O)CN[C@@H](CO)c2ccccc2 |
SMILES | OpenEye OEToolkits | 1.5.0 | CN1C(C(C(C1=O)O)O)CNC(CO)c2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C14H20N2O4/c1-16-11(12(18)13(19)14(16)20)7-15-10(8-17)9-5-3-2-4-6-9/h2-6,10-13,15,17-19H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1 |
InChIKey | InChI | 1.03 | DNDCXXSXVWBCJF-UMSGYPCISA-N |