Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1N(CCC(=O)N1)C2OC(C(O)C2)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@H](C[C@@H]1O)N2CCC(=O)NC2=O |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH](C[CH]1O)N2CCC(=O)NC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CN(C(=O)NC1=O)C2C[C@@H]([C@H](O2)CO)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1CN(C(=O)NC1=O)C2CC(C(O2)CO)O |
InChI | InChI | 1.03 | InChI=1S/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8?/m0/s1 |
InChIKey | InChI | 1.03 | XMJRLEURHMTTRX-FWHJPCMOSA-N |