MHU
Summary
| Name: | 4-N,N-(DIMETHYLAMINO)-L-PHENYLALANINE |
| Formula: | C12 H18 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 222.284 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(dimethylamino)-N-methyl-L-phenylalanine |
| OpenEye OEToolkits | 1.6.1 | (2S)-3-(4-dimethylaminophenyl)-2-methylamino-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC)Cc1ccc(N(C)C)cc1 |
| SMILES_CANONICAL | CACTVS | 3.352 | CN[C@@H](Cc1ccc(cc1)N(C)C)C(O)=O |
| SMILES | CACTVS | 3.352 | CN[CH](Cc1ccc(cc1)N(C)C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CN[C@@H](Cc1ccc(cc1)N(C)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | CNC(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 |
