PDB CCD ID: | K0U |
Number of entries in BioLiP: | 3 |
Chemical formula: | C11 H11 Cl3 O2 S |
InChI: | InChI=1S/C11H11Cl3O2S/c1-5(2)10(11(15)16)17-9-4-7(13)6(12)3-8(9)14/h3-5,10H,1-2H3,(H,15,16)/t10-/m1/s1 |
InChIKey: | NZZHJGDJZXXDGX-SNVBAGLBSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | CC(C)[CH](Sc1cc(Cl)c(Cl)cc1Cl)C(O)=O | ACDLabs 12.01 | Clc1cc(SC(C(=O)O)C(C)C)c(Cl)cc1Cl | OpenEye OEToolkits 2.0.7 | CC(C)[C@@H](C(=O)O)Sc1cc(c(cc1Cl)Cl)Cl | CACTVS 3.385 | CC(C)[C@@H](Sc1cc(Cl)c(Cl)cc1Cl)C(O)=O | OpenEye OEToolkits 2.0.7 | CC(C)C(C(=O)O)Sc1cc(c(cc1Cl)Cl)Cl |
|
Name: | (2R)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid |