4MM
Summary
| Name: | N,N,N-trimethylmethionine |
| Synonyms: | (1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium |
| Formula: | C8 H18 N O2 S |
| Formal charge: | 1 |
| Formula weight: | 192.299 Da |
| Component type: | L-peptide NH3 amino terminus |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-1-carboxy-N,N,N-trimethyl-3-(methylsulfanyl)propan-1-aminium |
| OpenEye OEToolkits | 1.7.6 | trimethyl-[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CSCCC([N+](C)(C)C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H17NO2S/c1-9(2,3)7(8(10)11)5-6-12-4/h7H,5-6H2,1-4H3/p+1/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | LIOVZIQCHLSVBO-ZETCQYMHSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CSCC[C@@H](C(O)=O)[N+](C)(C)C |
| SMILES | CACTVS | 3.385 | CSCC[CH](C(O)=O)[N+](C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[N+](C)(C)[C@@H](CCSC)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C[N+](C)(C)C(CCSC)C(=O)O |
