1UQ
Summary
| Name: | [(S)-({2-[hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid |
| Formula: | C10 H14 N O5 P S |
| Formal charge: | 0 |
| Formula weight: | 291.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(S)-({2-[hydroxy(methyl)amino]-2-oxoethyl}sulfanyl)(phenyl)methyl]phosphonic acid |
| OpenEye OEToolkits | 1.7.6 | [(S)-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]sulfanyl-phenyl-methyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)C(SCC(=O)N(O)C)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C10H14NO5PS/c1-11(13)9(12)7-18-10(17(14,15)16)8-5-3-2-4-6-8/h2-6,10,13H,7H2,1H3,(H2,14,15,16)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | IWQBQVIYTMIQRL-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN(O)C(=O)CS[C@@H](c1ccccc1)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CN(O)C(=O)CS[CH](c1ccccc1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C(=O)CS[C@@H](c1ccccc1)P(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(C(=O)CSC(c1ccccc1)P(=O)(O)O)O |
