| PDB CCD ID: | 8WJ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C22 H29 N3 O4 S2 |
| InChI: | InChI=1S/C22H29N3O4S2/c26-20-15-18(31(28,29)17-8-4-5-9-17)10-12-25(20)19(14-16-6-2-1-3-7-16)21(27)24-22-23-11-13-30-22/h10-13,15-17,19H,1-9,14H2,(H,23,24,27)/t19-/m0/s1 |
| InChIKey: | AIIAMUOQMJYEJH-IBGZPJMESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1csc(n1)NC(=O)C(CC2CCCCC2)N3C=CC(=CC3=O)S(=O)(=O)C4CCCC4 | | CACTVS 3.385 | O=C(Nc1sccn1)[CH](CC2CCCCC2)N3C=CC(=CC3=O)[S](=O)(=O)C4CCCC4 | | CACTVS 3.385 | O=C(Nc1sccn1)[C@H](CC2CCCCC2)N3C=CC(=CC3=O)[S](=O)(=O)C4CCCC4 | | ACDLabs 12.01 | N(c1sccn1)C(=O)C(CC2CCCCC2)N3C(C=C(C=C3)S(C4CCCC4)(=O)=O)=O | | OpenEye OEToolkits 2.0.6 | c1csc(n1)NC(=O)[C@H](CC2CCCCC2)N3C=CC(=CC3=O)S(=O)(=O)C4CCCC4 |
|
| Name: | (2S)-3-cyclohexyl-2-[4-(cyclopentylsulfonyl)-2-oxopyridin-1(2H)-yl]-N-(1,3-thiazol-2-yl)propanamide |
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