Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(Cc1ccccc1)CP(=O)(O)C(N)CCc2ccccc2 |
SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](CCc1ccccc1)[P@@](O)(=O)C[C@@H](Cc2ccccc2)C(O)=O |
SMILES | CACTVS | 3.341 | N[CH](CCc1ccccc1)[P](O)(=O)C[CH](Cc2ccccc2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CC[C@@H](N)[P@@](=O)(C[C@@H](Cc2ccccc2)C(=O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CCC(N)P(=O)(CC(Cc2ccccc2)C(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)/t17-,18+/m1/s1 |
InChIKey | InChI | 1.03 | QELOIXSGJMIHBZ-MSOLQXFVSA-N |