5CR
Summary
| Name: | N-acetyl-L-phenylalanine |
| Formula: | C11 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 207.226 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-acetamido-3-phenyl-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | CBQJSKKFNMDLON-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H](Cc1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH](Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)N[C@@H](Cc1ccccc1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NC(Cc1ccccc1)C(=O)O |
