MSL
Summary
| Name: | (2S)-2-AMINO-4-(METHYLSULFONIMIDOYL)BUTANOIC ACID |
| Synonyms: | METHIONINE SULFOXIMINE |
| Formula: | C5 H12 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 180.225 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-4-(S-methylsulfonimidoyl)butanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-4-(methylsulfonimidoyl)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=N)(C)CCC(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | C[S](=N)(=O)CC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | C[S](=N)(=O)CC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[S@](=N)(=O)CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CS(=N)(=O)CCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11-/m0/s1 |
| InChIKey | InChI | 1.03 | SXTAYKAGBXMACB-AUIPBDMJSA-N |
