OMX
(betaR)-beta-hydroxy-L-Tyrosine
Created: | 2010-08-10 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 25 |
Chiral Atom Count | 2 |
Bond Count | 25 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | (betaR)-beta-hydroxy-L-Tyrosine |
Systematic Name (OpenEye OEToolkits) | (2S,3R)-2-azanyl-3-(4-hydroxyphenyl)-3-oxidanyl-propanoic acid |
Formula | C9 H11 N O4 |
Molecular Weight | 197.188 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(N)C(O)c1ccc(O)cc1 |
SMILES | CACTVS | 3.370 | N[CH]([CH](O)c1ccc(O)cc1)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1C(C(C(=O)O)N)O)O |
Canonical SMILES | CACTVS | 3.370 | N[C@@H]([C@H](O)c1ccc(O)cc1)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ccc1[C@H]([C@@H](C(=O)O)N)O)O |
InChI | InChI | 1.03 | InChI=1S/C9H11NO4/c10-7(9(13)14)8(12)5-1-3-6(11)4-2-5/h1-4,7-8,11-12H,10H2,(H,13,14)/t7-,8+/m0/s1 |
InChIKey | InChI | 1.03 | RKCRKDKQUDBXAU-JGVFFNPUSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 90659353, 10878091 |