Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(NP(=O)(OCc1ccc(cc1)c2ccccc2)O)CCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C18H20NO7P/c20-17(21)11-10-16(18(22)23)19-27(24,25)26-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,20,21)(H,22,23)(H2,19,24,25)/t16-/m0/s1 |
InChIKey | InChI | 1.03 | DATQTWKKBHKLSV-INIZCTEOSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC[C@H](N[P](O)(=O)OCc1ccc(cc1)c2ccccc2)C(O)=O |
SMILES | CACTVS | 3.385 | OC(=O)CC[CH](N[P](O)(=O)OCc1ccc(cc1)c2ccccc2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2ccc(cc2)COP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2ccc(cc2)COP(=O)(NC(CCC(=O)O)C(=O)O)O |