4OU
Summary
| Name: | 4-(acryloylamino)-L-phenylalanine |
| Formula: | C12 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 234.251 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(acryloylamino)-L-phenylalanine |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-3-[4-(prop-2-enoylamino)phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(NC([C@H]=C)=O)cc1)CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H14N2O3/c1-2-11(15)14-9-5-3-8(4-6-9)7-10(13)12(16)17/h2-6,10H,1,7,13H2,(H,14,15)(H,16,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | ZUAJCXDEDFXJER-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1ccc(NC(=O)C=C)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1ccc(NC(=O)C=C)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C=CC(=O)Nc1ccc(cc1)C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | C=CC(=O)Nc1ccc(cc1)CC(C(=O)O)N |
