PDB CCD ID: | A9X |
Number of entries in BioLiP: | 1 |
Chemical formula: | C16 H18 O5 Se |
InChI: | InChI=1S/C16H18O5Se/c1-4-9(16(18)19)5-11(17)15-7-10-6-12(20-2)13(21-3)8-14(10)22-15/h6-9H,4-5H2,1-3H3,(H,18,19)/t9-/m1/s1 |
InChIKey: | BWQHPFYQJHFPHN-SECBINFHSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | CC[CH](CC(=O)c1[se]c2cc(OC)c(OC)cc2c1)C(O)=O | CACTVS 3.385 | CC[C@H](CC(=O)c1[se]c2cc(OC)c(OC)cc2c1)C(O)=O | OpenEye OEToolkits 2.0.7 | CCC(CC(=O)c1cc2cc(c(cc2[se]1)OC)OC)C(=O)O | OpenEye OEToolkits 2.0.7 | CC[C@H](CC(=O)c1cc2cc(c(cc2[se]1)OC)OC)C(=O)O |
|
Name: | (2R)-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid |
ChEMBL: | CHEMBL5219485 |