23F
(2Z)-2-AMINO-3-PHENYLACRYLIC ACID
| Created: | 2005-10-17 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 21 |
| Chiral Atom Count | 0 |
| Bond Count | 21 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | (2Z)-2-AMINO-3-PHENYLACRYLIC ACID |
| Synonyms | DEHYDROPHENYLALANINE |
| Systematic Name (OpenEye OEToolkits) | (Z)-2-amino-3-phenyl-prop-2-enoic acid |
| Formula | C9 H9 N O2 |
| Molecular Weight | 163.173 |
| Type | PEPTIDE LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(/N)=C/c1ccccc1 |
| SMILES | CACTVS | 3.341 | NC(=Cc1ccccc1)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C=C(C(=O)O)N |
| Canonical SMILES | CACTVS | 3.341 | N\C(=C/c1ccccc1)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)\C=C(\C(=O)O)/N |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)/b8-6- |
| InChIKey | InChI | 1.03 | YWIQQKOKNPPGDO-VURMDHGXSA-N |
Drug Info: DrugBank
DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
| DrugBank ID | DB04584 |
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| Name | Phenyldehydroalanine |
| Groups | experimental |
| Synonyms |
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| Categories |
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| CAS number | 7060-39-1 |
Related Resource References
| Resource Name | Reference |
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| PubChem | 5702627 |














