PDB CCD ID: | LL5 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C16 H22 N4 O2 S |
InChI: | InChI=1S/C16H22N4O2S/c1-10(2)13(17)16(21)20-7-5-11(6-8-20)15-18-14(19-22-15)12-4-3-9-23-12/h3-4,9-11,13H,5-8,17H2,1-2H3/t13-/m0/s1 |
InChIKey: | XUGKZTMKTMWUPY-ZDUSSCGKSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.370 | CC(C)[C@H](N)C(=O)N1CC[C@H](CC1)c2onc(n2)c3sccc3 | OpenEye OEToolkits 1.7.0 | CC(C)[C@@H](C(=O)N1CCC(CC1)c2nc(no2)c3cccs3)N | CACTVS 3.370 | CC(C)[CH](N)C(=O)N1CC[CH](CC1)c2onc(n2)c3sccc3 | OpenEye OEToolkits 1.7.0 | CC(C)C(C(=O)N1CCC(CC1)c2nc(no2)c3cccs3)N | ACDLabs 12.01 | O=C(N3CCC(c1onc(n1)c2sccc2)CC3)C(N)C(C)C |
|
Name: | (2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one |
ChEMBL: | CHEMBL1773955 |
ZINC: | ZINC000071297061 |