2QY
Summary
| Name: | (2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid |
| Formula: | C10 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 193.199 Da |
| Component type: | PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid |
| OpenEye OEToolkits | 1.7.6 | (Z)-3-(4-hydroxyphenyl)-2-(methylamino)prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)/C(=C/c1ccc(O)cc1)NC |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-6,11-12H,1H3,(H,13,14)/b9-6- |
| InChIKey | InChI | 1.03 | LTQMUTIZFFDZNT-TWGQIWQCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN\C(=C/c1ccc(O)cc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CNC(=Cc1ccc(O)cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN/C(=C\c1ccc(cc1)O)/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CNC(=Cc1ccc(cc1)O)C(=O)O |
