4AF
Summary
| Name: | 4-ACETYL-L-PHENYLALANINE |
| Synonyms: | P-ACETYLPHENYLALANINE |
| Formula: | C11 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 207.226 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-acetyl-L-phenylalanine |
| OpenEye OEToolkits | 1.6.1 | (2S)-2-azanyl-3-(4-ethanoylphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)Cc1ccc(cc1)C(=O)C |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(=O)c1ccc(C[C@H](N)C(O)=O)cc1 |
| SMILES | CACTVS | 3.352 | CC(=O)c1ccc(C[CH](N)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC(=O)c1ccc(cc1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC(=O)c1ccc(cc1)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO3/c1-7(13)9-4-2-8(3-5-9)6-10(12)11(14)15/h2-5,10H,6,12H2,1H3,(H,14,15)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | ZXSBHXZKWRIEIA-JTQLQIEISA-N |
