Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1 |
SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)[C@H](Cc1ccccc1)O[P](O)(=O)[C@@H](N)CC(C)C |
SMILES | CACTVS | 3.370 | COC(=O)[CH](Cc1ccccc1)O[P](O)(=O)[CH](N)CC(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@H](N)[P@@](=O)(O)O[C@@H](Cc1ccccc1)C(=O)OC |
SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(N)P(=O)(O)OC(Cc1ccccc1)C(=O)OC |
InChI | InChI | 1.03 | InChI=1S/C15H24NO5P/c1-11(2)9-14(16)22(18,19)21-13(15(17)20-3)10-12-7-5-4-6-8-12/h4-8,11,13-14H,9-10,16H2,1-3H3,(H,18,19)/t13-,14+/m0/s1 |
InChIKey | InChI | 1.03 | MZRFVGOVBKFRCQ-UONOGXRCSA-N |