| PDB CCD ID: | BQK |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H18 N4 O4 S |
| InChI: | InChI=1S/C16H18N4O4S/c1-8(21)13-14(9-4-10(22)6-11(23)5-9)25-16(19-13)20-15(24)12-7-17-2-3-18-12/h4-6,12,17-18,22-23H,2-3,7H2,1H3,(H,19,20,24)/t12-/m1/s1 |
| InChIKey: | XEVZKKXMSLWLTA-GFCCVEGCSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc(cc(c3)O)O | | CACTVS 3.385 | CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cc(O)cc(O)c3 | | OpenEye OEToolkits 2.0.6 | CC(=O)c1c(sc(n1)NC(=O)C2CNCCN2)c3cc(cc(c3)O)O | | CACTVS 3.385 | CC(=O)c1nc(NC(=O)[C@H]2CNCCN2)sc1c3cc(O)cc(O)c3 |
|
| Name: | (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide |
zhanggroup.org