OEM
Summary
Name: | N-methyl-D-aspartic acid |
Formula: | C5 H9 N O4 |
Formal charge: | 0 |
Formula weight: | 147.129 Da |
Component type: | D-peptide linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N-methyl-D-aspartic acid |
OpenEye OEToolkits | 1.7.0 | (2R)-2-(methylamino)butanedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(NC)CC(=O)O |
SMILES_CANONICAL | CACTVS | 3.370 | CN[C@H](CC(O)=O)C(O)=O |
SMILES | CACTVS | 3.370 | CN[CH](CC(O)=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN[C@H](CC(=O)O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CNC(CC(=O)O)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1 |
InChIKey | InChI | 1.03 | HOKKHZGPKSLGJE-GSVOUGTGSA-N |