MSW
Summary
| Name: | [(1S)-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid |
| Formula: | C13 H20 N O5 P |
| Formal charge: | 0 |
| Formula weight: | 301.275 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | [(1~{S})-2-(methoxycarbonylamino)-1-phenyl-ethoxy]-propyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H20NO5P/c1-3-9-20(16,17)19-12(10-14-13(15)18-2)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3,(H,14,15)(H,16,17)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | LJRNVQUHAPUUFK-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[P](O)(=O)O[C@H](CNC(=O)OC)c1ccccc1 |
| SMILES | CACTVS | 3.385 | CCC[P](O)(=O)O[CH](CNC(=O)OC)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCC[P@](=O)(O)O[C@H](CNC(=O)OC)c1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCCP(=O)(O)OC(CNC(=O)OC)c1ccccc1 |
