LMQ
Summary
| Name: | (3S)-3-methyl-L-glutamine |
| Synonyms: | beta-methylglutamine |
| Formula: | C6 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 160.171 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3-methyl-L-glutamine |
| OpenEye OEToolkits | 1.5.0 | (2S,3S)-2,5-diamino-3-methyl-5-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)CC(C)C(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](CC(N)=O)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](CC(N)=O)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CC(=O)N)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CC(=O)N)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O3/c1-3(2-4(7)9)5(8)6(10)11/h3,5H,2,8H2,1H3,(H2,7,9)(H,10,11)/t3-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | RWBLYSWJMSKZAL-UCORVYFPSA-N |
