5DW
Summary
| Name: | 4-ethynyl-L-phenylalanine |
| Formula: | C11 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 189.211 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-ethynyl-L-phenylalanine |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-3-(4-ethynylphenyl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(c1ccc(CC(N)C(=O)O)cc1)#C |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO2/c1-2-8-3-5-9(6-4-8)7-10(12)11(13)14/h1,3-6,10H,7,12H2,(H,13,14)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | PPDNGMUGVMESGE-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(cc1)C#C)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(cc1)C#C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C#Cc1ccc(cc1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C#Cc1ccc(cc1)CC(C(=O)O)N |
