M2S
Summary
| Name: | 3-{[(R)-methylsulfinyl]methyl}-L-valine |
| Synonyms: | 3,3-dimethyl-methionine sulfoxide |
| Formula: | C7 H15 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 193.264 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-{[(R)-methylsulfinyl]methyl}-L-valine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3,3-dimethyl-4-[(R)-methylsulfinyl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(C)CC(C)(C)C(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[S@@](=O)CC(C)(C)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | C[S](=O)CC(C)(C)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C[S@](=O)C)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(CS(=O)C)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO3S/c1-7(2,4-12(3)11)5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | MOBZVMLNWJMVLB-DAZVOFDJSA-N |
