MHU

4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE

Created: 2010-07-15
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count1
Bond Count34
Aromatic Bond Count6
2D diagram of MHU

Chemical Component Summary

Name4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE
Systematic Name (OpenEye OEToolkits)(2S)-3-(4-dimethylaminophenyl)-2-methylamino-propanoic acid
FormulaC12 H18 N2 O2
Molecular Weight222.284
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(NC)Cc1ccc(N(C)C)cc1
SMILESCACTVS3.352CN[CH](Cc1ccc(cc1)N(C)C)C(O)=O
SMILESOpenEye OEToolkits1.6.1CNC(Cc1ccc(cc1)N(C)C)C(=O)O
Canonical SMILESCACTVS3.352 CN[C@@H](Cc1ccc(cc1)N(C)C)C(O)=O
Canonical SMILESOpenEye OEToolkits1.6.1 CN[C@@H](Cc1ccc(cc1)N(C)C)C(=O)O
InChIInChI1.03 InChI=1S/C12H18N2O2/c1-13-11(12(15)16)8-9-4-6-10(7-5-9)14(2)3/h4-7,11,13H,8H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyInChI1.03 QKRKFUDFXFNQML-NSHDSACASA-N

Related Resource References

Resource NameReference
PubChem 49867309