3NF
Summary
| Name: | N-acetyl-L-tyrosine |
| Formula: | C11 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 223.225 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-acetyl-L-tyrosine |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(NC(=O)C)Cc1ccc(O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)NC(Cc1ccc(cc1)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO4/c1-7(13)12-10(11(15)16)6-8-2-4-9(14)5-3-8/h2-5,10,14H,6H2,1H3,(H,12,13)(H,15,16)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | CAHKINHBCWCHCF-JTQLQIEISA-N |
