Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C1CC(=O)CC1C(O)C(N)CC(C)C |
SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](N)[C@@H](O)[C@@H]1CC(=O)C[C@H]1C(O)=O |
SMILES | CACTVS | 3.370 | CC(C)C[CH](N)[CH](O)[CH]1CC(=O)C[CH]1C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@@H]([C@H]([C@@H]1CC(=O)C[C@H]1C(=O)O)O)N |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(C(C1CC(=O)CC1C(=O)O)O)N |
InChI | InChI | 1.03 | InChI=1S/C12H21NO4/c1-6(2)3-10(13)11(15)8-4-7(14)5-9(8)12(16)17/h6,8-11,15H,3-5,13H2,1-2H3,(H,16,17)/t8-,9-,10+,11+/m1/s1 |
InChIKey | InChI | 1.03 | BYQBKCJRZDGCMJ-ZNSHCXBVSA-N |