Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)CC(c1ccccc1)CC(=O)N(O)C |
InChI | InChI | 1.03 | InChI=1S/C11H16NO5P/c1-12(14)11(13)7-10(8-18(15,16)17)9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H2,15,16,17)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | RGWBBKVQKPJVGW-JTQLQIEISA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(O)C(=O)C[C@@H](C[P](O)(O)=O)c1ccccc1 |
SMILES | CACTVS | 3.385 | CN(O)C(=O)C[CH](C[P](O)(O)=O)c1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O |
SMILES | OpenEye OEToolkits | 1.9.2 | CN(C(=O)CC(CP(=O)(O)O)c1ccccc1)O |