| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(O)C(N)CCCC/N=C(/C(O)=O)CC(CCC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H22N2O7/c14-9(12(19)20)3-1-2-6-15-10(13(21)22)7-8(16)4-5-11(17)18/h8-9,16H,1-7,14H2,(H,17,18)(H,19,20)(H,21,22)/b15-10+/t8-,9+/m1/s1 |
| InChIKey | InChI | 1.03 | SZZIBLQGBUJBOW-SFBSIPHCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCN=C(C[C@H](O)CCC(O)=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCN=C(C[CH](O)CCC(O)=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CC/N=C(\C[C@@H](CCC(=O)O)O)/C(=O)O)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CCN=C(CC(CCC(=O)O)O)C(=O)O)CC(C(=O)O)N |
