Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)C(NC(=O)OCc1ccccc1)Cc2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.370 | O[P](O)(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2 |
SMILES | CACTVS | 3.370 | O[P](O)(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C[C@@H](NC(=O)OCc2ccccc2)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)CC(NC(=O)OCc2ccccc2)P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C16H18NO5P/c18-16(22-12-14-9-5-2-6-10-14)17-15(23(19,20)21)11-13-7-3-1-4-8-13/h1-10,15H,11-12H2,(H,17,18)(H2,19,20,21)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | VSULGWZITIYPLP-HNNXBMFYSA-N |