Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)CC(c1ccc(cc1)C)CC(=O)N(O)C |
InChI | InChI | 1.03 | InChI=1S/C12H18NO5P/c1-9-3-5-10(6-4-9)11(8-19(16,17)18)7-12(14)13(2)15/h3-6,11,15H,7-8H2,1-2H3,(H2,16,17,18)/t11-/m0/s1 |
InChIKey | InChI | 1.03 | WSGLUPNSGLKEIM-NSHDSACASA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(O)C(=O)C[C@@H](C[P](O)(O)=O)c1ccc(C)cc1 |
SMILES | CACTVS | 3.385 | CN(O)C(=O)C[CH](C[P](O)(O)=O)c1ccc(C)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1)[C@@H](CC(=O)N(C)O)CP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc(cc1)C(CC(=O)N(C)O)CP(=O)(O)O |