YFQ
Summary
| Name: | beta-N-methylamino-L-alanine |
| Synonyms: | (2S)-2-azanyl-3-(methylamino)propanoic acid L-Bmaa; 3-(methylamino)-L-alanine |
| Formula: | C4 H10 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 118.134 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-3-(methylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)/t3-/m0/s1 |
| InChIKey | InChI | 1.06 | UJVHVMNGOZXSOZ-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CNC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNCC(C(=O)O)N |
