Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1N(CC(O)(C(=O)N1)C)C2OC(C(O)C2)CO |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@]1(O)CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O |
SMILES | CACTVS | 3.341 | C[C]1(O)CN([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1(CN(C(=O)NC1=O)C2CC(C(O2)CO)O)O |
InChI | InChI | 1.03 | InChI=1S/C10H16N2O6/c1-10(17)4-12(9(16)11-8(10)15)7-2-5(14)6(3-13)18-7/h5-7,13-14,17H,2-4H2,1H3,(H,11,15,16)/t5-,6+,7+,10+/m0/s1 |
InChIKey | InChI | 1.03 | MRODUHNLAXSPFV-MPXCPUAZSA-N |