33X
Summary
| Name: | N-methyl-D-alanine |
| Formula: | C4 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 103.12 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-D-alanine |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-(methylamino)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NC)C |
| InChI | InChI | 1.03 | InChI=1S/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | GDFAOVXKHJXLEI-GSVOUGTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[C@H](C)C(O)=O |
| SMILES | CACTVS | 3.385 | CN[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](C(=O)O)NC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(=O)O)NC |
