Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1NC(C(=O)O)(C(O)C1C)C(O)C(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@H]1O)C(O)=O |
SMILES | CACTVS | 3.341 | CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1[C@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(NC1=O)(C(C(C)C)O)C(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C10H17NO5/c1-4(2)6(12)10(9(15)16)7(13)5(3)8(14)11-10/h4-7,12-13H,1-3H3,(H,11,14)(H,15,16)/t5-,6+,7-,10-/m1/s1 |
InChIKey | InChI | 1.03 | USVJHCXEVSVUEZ-JTGULSINSA-N |