PQ4
Summary
| Name: | (2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid |
| Formula: | C9 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 179.173 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoic acid |
| OpenEye OEToolkits | 2.0.7 | (~{Z})-2-azanyl-3-(4-hydroxyphenyl)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N\C(=C/c1ccc(O)cc1)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,10H2,(H,12,13)/b8-5- |
| InChIKey | InChI | 1.03 | VWVGLOXKDVGAFA-YVMONPNESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N\C(=C/c1ccc(O)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=Cc1ccc(O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=C(/C(=O)O)\N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=C(C(=O)O)N)O |
