MHU
4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE
Created: | 2010-07-15 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 34 |
Chiral Atom Count | 1 |
Bond Count | 34 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE |
Systematic Name (OpenEye OEToolkits) | (2S)-3-(4-dimethylaminophenyl)-2-methylamino-propanoic acid |
Formula | C12 H18 N2 O2 |
Molecular Weight | 222.284 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(NC)Cc1ccc(N(C)C)cc1 |
SMILES | CACTVS | 3.352 | CN[CH](Cc1ccc(cc1)N(C)C)C(O)=O |
SMILES | OpenEye OEToolkits | 1.6.1 | CNC(Cc1ccc(cc1)N(C)C)C(=O)O |
Canonical SMILES | CACTVS | 3.352 | CN[C@@H](Cc1ccc(cc1)N(C)C)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.6.1 | CN[C@@H](Cc1ccc(cc1)N(C)C)C(=O)O |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | QKRKFUDFXFNQML-NSHDSACASA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 49867309 |