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 |