Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N(O)C)CCC(C(=O)O)CC(C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C9H16N2O6/c1-11(17)7(12)3-2-5(8(13)14)4-6(10)9(15)16/h5-6,17H,2-4,10H2,1H3,(H,13,14)(H,15,16)/t5-,6+/m1/s1 |
InChIKey | InChI | 1.03 | YWTXUGAXXGHUOR-RITPCOANSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN(O)C(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O |
SMILES | CACTVS | 3.370 | CN(O)C(=O)CC[CH](C[CH](N)C(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C(=O)CC[C@H](C[C@@H](C(=O)O)N)C(=O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CN(C(=O)CCC(CC(C(=O)O)N)C(=O)O)O |