OEM

N-methyl-D-aspartic acid

Created:2010-08-17
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count1
Bond Count18
Aromatic Bond Count0
2D diagram of OEM

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Chemical Component Summary

NameN-methyl-D-aspartic acid
Systematic Name (OpenEye OEToolkits)(2R)-2-(methylamino)butanedioic acid
FormulaC5 H9 N O4
Molecular Weight147.129
TypeD-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(NC)CC(=O)O
SMILESCACTVS3.370CN[CH](CC(O)=O)C(O)=O
SMILESOpenEye OEToolkits1.7.0CNC(CC(=O)O)C(=O)O
Canonical SMILESCACTVS3.370 CN[C@H](CC(O)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 CN[C@H](CC(=O)O)C(=O)O
InChIInChI1.03 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
InChIKeyInChI1.03 HOKKHZGPKSLGJE-GSVOUGTGSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL291278
PubChem 22880
ChEMBL CHEMBL291278
ChEBI CHEBI:31882