SME
Summary
| Name: | METHIONINE SULFOXIDE |
| Formula: | C5 H11 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 165.211 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-[(R)-methylsulfinyl]butanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-[(R)-methylsulfinyl]butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)CCS(=O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[S@@](=O)CC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | C[S](=O)CC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[S@@](=O)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CS(=O)CCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m0/s1 |
| InChIKey | InChI | 1.03 | QEFRNWWLZKMPFJ-ZXPFJRLXSA-N |
