OMY
Summary
| Name: | (betaR)-3-chloro-beta-hydroxy-L-tyrosine |
| Formula: | C9 H10 Cl N O4 |
| Formal charge: | 0 |
| Formula weight: | 231.633 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (betaR)-3-chloro-beta-hydroxy-L-tyrosine |
| OpenEye OEToolkits | 1.6.1 | (2S,3R)-2-amino-3-(3-chloro-4-hydroxy-phenyl)-3-hydroxy-propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc1cc(ccc1O)C(O)C(C(=O)O)N |
| SMILES_CANONICAL | CACTVS | 3.352 | N[C@@H]([C@H](O)c1ccc(O)c(Cl)c1)C(O)=O |
| SMILES | CACTVS | 3.352 | N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | c1cc(c(cc1[C@H]([C@@H](C(=O)O)N)O)Cl)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | c1cc(c(cc1C(C(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+/m0/s1 |
| InChIKey | InChI | 1.03 | BACZBJKOFPGENQ-JGVFFNPUSA-N |
