Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc1ccc(cc1)CP(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](Cc1ccc(C[P](O)(O)=O)cc1)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](Cc1ccc(C[P](O)(O)=O)cc1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C[C@@H](C(=O)O)N)CP(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1CC(C(=O)O)N)CP(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C10H14NO5P/c11-9(10(12)13)5-7-1-3-8(4-2-7)6-17(14,15)16/h1-4,9H,5-6,11H2,(H,12,13)(H2,14,15,16)/t9-/m0/s1 |
InChIKey | InChI | 1.03 | SAQLLHDEEMZENJ-VIFPVBQESA-N |