GNC
Summary
| Name: | N~2~-methyl-L-glutamine |
| Formula: | C6 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 160.171 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-methyl-L-glutamine |
| OpenEye OEToolkits | 1.7.6 | (2S)-5-azanyl-2-(methylamino)-5-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NC)CCC(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O3/c1-8-4(6(10)11)2-3-5(7)9/h4,8H,2-3H2,1H3,(H2,7,9)(H,10,11)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | KSZFSNZOGAXEGH-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN[C@@H](CCC(N)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | CN[CH](CCC(N)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN[C@@H](CCC(=O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNC(CCC(=O)N)C(=O)O |
