Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(=O)(CC)N1CC(C(NC(C)C(=O)O)=O)CCC1 |
InChI | InChI | 1.03 | InChI=1S/C12H20N2O4/c1-3-10(15)14-6-4-5-9(7-14)11(16)13-8(2)12(17)18/h8-9H,3-7H2,1-2H3,(H,13,16)(H,17,18)/t8-,9+/m0/s1 |
InChIKey | InChI | 1.03 | HQZBKHPGGGAOQQ-DTWKUNHWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)C(O)=O |
SMILES | CACTVS | 3.385 | CCC(=O)N1CCC[CH](C1)C(=O)N[CH](C)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CCC[C@H](C1)C(=O)N[C@@H](C)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)N1CCCC(C1)C(=O)NC(C)C(=O)O |