| PDB CCD ID: | EFR |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H20 N2 O2 S |
| InChI: | InChI=1S/C11H20N2O2S/c1-8(7-16)11(15)13-4-2-9(3-5-13)6-10(12)14/h8-9,16H,2-7H2,1H3,(H2,12,14)/t8-/m1/s1 |
| InChIKey: | MLLZAZRBSAVWPR-MRVPVSSYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@H](CS)C(=O)N1CCC(CC1)CC(N)=O | | OpenEye OEToolkits 2.0.7 | CC(CS)C(=O)N1CCC(CC1)CC(=O)N | | OpenEye OEToolkits 2.0.7 | C[C@H](CS)C(=O)N1CCC(CC1)CC(=O)N | | CACTVS 3.385 | C[CH](CS)C(=O)N1CCC(CC1)CC(N)=O |
|
| Name: | 2-[1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidin-4-yl]ethanamide |
| ChEMBL: | CHEMBL4779672 |
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