MND
Summary
| Name: | N-methyl-D-asparagine |
| Formula: | C5 H10 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 146.144 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | N-methyl-D-asparagine |
| OpenEye OEToolkits | 1.6.1 | (2R)-2-azanyl-4-(methylamino)-4-oxo-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | O=C(NC)CC(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.352 | CNC(=O)C[C@@H](N)C(O)=O |
| SMILES | CACTVS | 3.352 | CNC(=O)C[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CNC(=O)C[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CNC(=O)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | CFRMVEKWKKDNAH-GSVOUGTGSA-N |
