A3U
Summary
| Name: | 4-acetamido-L-phenylalanine |
| Formula: | C11 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 222.24 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-acetamido-L-phenylalanine |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-3-(4-acetamidophenyl)-2-azanyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)Nc1ccc(cc1)CC(N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H14N2O3/c1-7(14)13-9-4-2-8(3-5-9)6-10(12)11(15)16/h2-5,10H,6,12H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | YAYQQGFBTYYMMH-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1ccc(C[C@H](N)C(O)=O)cc1 |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1ccc(C[CH](N)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1ccc(cc1)CC(C(=O)O)N |
