0TH
Summary
| Name: | N-(propylsulfonyl)-D-threonine |
| Formula: | C7 H15 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 225.263 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(propylsulfonyl)-D-threonine |
| OpenEye OEToolkits | 1.7.0 | (2R,3S)-3-hydroxy-2-(propylsulfonylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NC(C(=O)O)C(O)C)CCC |
| SMILES_CANONICAL | CACTVS | 3.370 | CCC[S](=O)(=O)N[C@H]([C@H](C)O)C(O)=O |
| SMILES | CACTVS | 3.370 | CCC[S](=O)(=O)N[CH]([CH](C)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCS(=O)(=O)NC(C(C)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO5S/c1-3-4-14(12,13)8-6(5(2)9)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | ZTJRRQPXOMIKLP-NTSWFWBYSA-N |
