| PDB CCD ID: | M2S |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C7 H15 N O3 S |
| InChI: | 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: | MOBZVMLNWJMVLB-DAZVOFDJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC(C)(CS(=O)C)C(C(=O)O)N | | CACTVS 3.341 | C[S@@](=O)CC(C)(C)[C@H](N)C(O)=O | | OpenEye OEToolkits 1.5.0 | CC(C)(C[S@](=O)C)[C@@H](C(=O)O)N | | CACTVS 3.341 | C[S](=O)CC(C)(C)[CH](N)C(O)=O | | ACDLabs 10.04 | O=S(C)CC(C)(C)C(N)C(=O)O |
|
| Name: | 3-{[(R)-methylsulfinyl]methyl}-L-valine;
3,3-dimethyl-methionine sulfoxide |
| ZINC: | ZINC000142824303 |
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