P4E
Summary
| Name: | (2S,4E)-2-amino-5-phenylpent-4-enoic acid |
| Formula: | C11 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 191.226 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S,4E)-2-amino-5-phenylpent-4-enoic acid |
| OpenEye OEToolkits | 1.7.2 | (2S)-2-azanyl-5-phenyl-pent-4-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)C/C=C/c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | MCGSKGBMVBECNS-QBBOHKLWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](C\C=C\c1ccccc1)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CC=Cc1ccccc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C=CC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C=CCC(C(=O)O)N |
