MEN

N-METHYL ASPARAGINE

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count1
Bond Count19
Aromatic Bond Count0
2D diagram of MEN

Chemical Component Summary

NameN-METHYL ASPARAGINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-4-methylamino-4-oxo-butanoic acid
FormulaC5 H10 N2 O3
Molecular Weight146.144
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(NC)CC(N)C(=O)O
SMILESCACTVS3.341CNC(=O)C[CH](N)C(O)=O
SMILESOpenEye OEToolkits1.5.0CNC(=O)CC(C(=O)O)N
Canonical SMILESCACTVS3.341 CNC(=O)C[C@H](N)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CNC(=O)C[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyInChI1.03 CFRMVEKWKKDNAH-VKHMYHEASA-N

Related Resource References

Resource NameReference
PubChem 86308196, 100393
ChEBI CHEBI:44079