HJV
Summary
| Name: | N~2~-methyl-D-glutamine |
| Formula: | C6 H12 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 160.171 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~2~-methyl-D-glutamine |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-5-azanyl-2-(methylamino)-5-oxidanylidene-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNC(CCC(=O)N)C(=O)O |
| 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-/m1/s1 |
| InChIKey | InChI | 1.03 | KSZFSNZOGAXEGH-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@H](CCC(N)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CN[CH](CCC(N)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN[C@H](CCC(=O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CNC(CCC(=O)N)C(=O)O |
