Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=CC(NC(=O)C)C(O)C(O)C(O)CO |
SMILES_CANONICAL | CACTVS | 3.352 | CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO |
SMILES | CACTVS | 3.352 | CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | CC(=O)NC(C=O)C(C(C(CO)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1 |
InChIKey | InChI | 1.03 | MBLBDJOUHNCFQT-WCTZXXKLSA-N |