OEM

N-methyl-D-aspartic acid

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

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2 entries where OEM is found as a standalone ligand1 entries where OEM is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	1
Bond Count	18
Aromatic Bond Count	0

2D diagram of OEM

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Chemical Component Summary
Name	N-methyl-D-aspartic acid
Systematic Name (OpenEye OEToolkits)	(2R)-2-(methylamino)butanedioic acid
Formula	C₅ H₉ N O₄
Molecular Weight	147.129
Type	D-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(NC)CC(=O)O
SMILES	CACTVS	3.370	CN[CH](CC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	CNC(CC(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.370	CN[C@H](CC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CN[C@H](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

Related Resource References

Resource Name	Reference
Pharos	CHEMBL291278
PubChem	22880
ChEMBL	CHEMBL291278
ChEBI	CHEBI:31882

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