EME
Summary
| Name: | N-methyl-L-glutamic acid |
| Formula: | C6 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 161.156 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-L-glutamic acid |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-(methylamino)pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NC)CCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | XLBVNMSMFQMKEY-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN[C@@H](CCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | CN[CH](CCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN[C@@H](CCC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNC(CCC(=O)O)C(=O)O |
