| PDB CCD ID: | YX6 |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C9 H11 N3 O2 S |
| InChI: | InChI=1S/C9H11N3O2S/c13-8-2-1-6(3-10-8)12-9(14)7-4-15-5-11-7/h4-6H,1-3H2,(H,10,13)(H,12,14)/t6-/m1/s1 |
| InChIKey: | MTDCJLXPYPQTPX-ZCFIWIBFSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1c(ncs1)C(=O)NC2CCC(=O)NC2 | | OpenEye OEToolkits 2.0.7 | c1c(ncs1)C(=O)N[C@@H]2CCC(=O)NC2 | | CACTVS 3.385 | O=C1CC[CH](CN1)NC(=O)c2cscn2 | | ACDLabs 12.01 | O=C(NC1CCC(=O)NC1)c1cscn1 | | CACTVS 3.385 | O=C1CC[C@H](CN1)NC(=O)c2cscn2 |
|
| Name: | N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide |
zhanggroup.org