| PDB CCD ID: | UHK |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C13 H19 N O S |
| InChI: | InChI=1S/C13H19NOS/c1-9(2)8-12(16)13(15)14-11-6-4-10(3)5-7-11/h4-7,9,12,16H,8H2,1-3H3,(H,14,15)/t12-/m0/s1 |
| InChIKey: | BYBVNNWQUAPBOD-LBPRGKRZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | Cc1ccc(cc1)NC(=O)C(CC(C)C)S | | CACTVS 3.385 | CC(C)C[C@H](S)C(=O)Nc1ccc(C)cc1 | | OpenEye OEToolkits 2.0.7 | Cc1ccc(cc1)NC(=O)[C@H](CC(C)C)S | | CACTVS 3.385 | CC(C)C[CH](S)C(=O)Nc1ccc(C)cc1 |
|
| Name: | (S)-2-mercapto-4-methyl-N-(p-tolyl)pentanamide;
(2~{S})-4-methyl-~{N}-(4-methylphenyl)-2-sulfanyl-pentanamide |
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