Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
SMILES | CACTVS | 3.341 | OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20) |
InChIKey | InChI | 1.03 | KCXVZYZYPLLWCC-UHFFFAOYSA-N |