OMZ
(betaR)-3-CHLORO-BETA-HYDROXY-D-TYROSINE
| Created: | 2010-08-06 |
| 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)-3-CHLORO-BETA-HYDROXY-D-TYROSINE |
| Systematic Name (OpenEye OEToolkits) | (2R,3R)-2-amino-3-(3-chloro-4-hydroxy-phenyl)-3-hydroxy-propanoic acid |
| Formula | C9 H10 Cl N O4 |
| Molecular Weight | 231.633 |
| Type | D-PEPTIDE LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cc(ccc1O)C(O)C(C(=O)O)N |
| SMILES | CACTVS | 3.352 | N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(c(cc1C(C(C(=O)O)N)O)Cl)O |
| Canonical SMILES | CACTVS | 3.352 | N[C@H]([C@H](O)c1ccc(O)c(Cl)c1)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(c(cc1[C@H]([C@H](C(=O)O)N)O)Cl)O |
| InChI | InChI | 1.03 | InChI=1S/C9H10ClNO4/c10-5-3-4(1-2-6(5)12)8(13)7(11)9(14)15/h1-3,7-8,12-13H,11H2,(H,14,15)/t7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | BACZBJKOFPGENQ-HTQZYQBOSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 101932982 |














