Type | Program | Version | Descriptor |
SMILES | ACDLabs | 11.02 | O=C(O)C(NC(=O)c1cccc(O)c1O)COC(=O)C(NC(=O)c2cccc(O)c2O)CO |
SMILES_CANONICAL | CACTVS | 3.352 | OC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)OC[C@H](NC(=O)c2cccc(O)c2O)C(O)=O |
SMILES | CACTVS | 3.352 | OC[CH](NC(=O)c1cccc(O)c1O)C(=O)OC[CH](NC(=O)c2cccc(O)c2O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(c(c1)O)O)C(=O)N[C@H](CO)C(=O)OC[C@@H](C(=O)O)NC(=O)c2cccc(c2O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(c(c1)O)O)C(=O)NC(CO)C(=O)OCC(C(=O)O)NC(=O)c2cccc(c2O)O |
InChI | InChI | 1.03 | InChI=1S/C20H20N2O11/c23-7-11(21-17(28)9-3-1-5-13(24)15(9)26)20(32)33-8-12(19(30)31)22-18(29)10-4-2-6-14(25)16(10)27/h1-6,11-12,23-27H,7-8H2,(H,21,28)(H,22,29)(H,30,31)/t11-,12+/m1/s1 |
InChIKey | InChI | 1.03 | KLXJDVFEFZPIMN-NEPJUHHUSA-N |