Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)C(OCc1ccccc1)C(=O)O |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH]([CH](OCc1ccccc1)C(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COC(C(C(=O)O)N)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1 |
InChIKey | InChI | 1.03 | BYOBCYXURWDEDS-IUCAKERBSA-N |