A30
O-ethyl-L-tyrosine
Created: | 2021-11-04 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 1 |
Bond Count | 30 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | O-ethyl-L-tyrosine |
Systematic Name (OpenEye OEToolkits) | (2~{S})-2-azanyl-3-(4-ethoxyphenyl)propanoic acid |
Formula | C11 H15 N O3 |
Molecular Weight | 209.242 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCOc1ccc(cc1)CC(N)C(=O)O |
SMILES | CACTVS | 3.385 | CCOc1ccc(C[CH](N)C(O)=O)cc1 |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1)CC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.385 | CCOc1ccc(C[C@H](N)C(O)=O)cc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1)C[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | InChI=1S/C11H15NO3/c1-2-15-9-5-3-8(4-6-9)7-10(12)11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | RMYPEYHEPIZYDJ-JTQLQIEISA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 11275812, 36690061 |