Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C/C(=N\CCCCC(N)C(O)=O)C(=O)O)(C)=O |
InChI | InChI | 1.03 | InChI=1S/C11H18N2O5/c1-7(14)6-9(11(17)18)13-5-3-2-4-8(12)10(15)16/h8H,2-6,12H2,1H3,(H,15,16)(H,17,18)/b13-9+/t8-/m0/s1 |
InChIKey | InChI | 1.03 | ODHRWAKMKXIGDP-AXPYHWFSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)CC(=NCCCC[C@H](N)C(O)=O)C(O)=O |
SMILES | CACTVS | 3.385 | CC(=O)CC(=NCCCC[CH](N)C(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(=O)C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.5 | CC(=O)CC(=NCCCCC(C(=O)O)N)C(=O)O |