PDB CCD ID: | OMY |
Number of entries in BioLiP: | 0 |
Chemical formula: | C9 H10 Cl N O4 |
InChI: | 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: | BACZBJKOFPGENQ-JGVFFNPUSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.352 | N[C@@H]([C@H](O)c1ccc(O)c(Cl)c1)C(O)=O | OpenEye OEToolkits 1.6.1 | c1cc(c(cc1[C@H]([C@@H](C(=O)O)N)O)Cl)O | OpenEye OEToolkits 1.6.1 | c1cc(c(cc1C(C(C(=O)O)N)O)Cl)O | ACDLabs 10.04 | Clc1cc(ccc1O)C(O)C(C(=O)O)N | CACTVS 3.352 | N[CH]([CH](O)c1ccc(O)c(Cl)c1)C(O)=O |
|
Name: | (betaR)-3-chloro-beta-hydroxy-L-tyrosine |