| PDB CCD ID: | UHE |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H19 N O2 S |
| InChI: | InChI=1S/C13H19NO2S/c1-9(2)8-12(17)13(15)14-10-4-6-11(16-3)7-5-10/h4-7,9,12,17H,8H2,1-3H3,(H,14,15)/t12-/m0/s1 |
| InChIKey: | HDLRYABNVVOQJO-LBPRGKRZSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C)CC(C(=O)Nc1ccc(cc1)OC)S | | OpenEye OEToolkits 2.0.7 | CC(C)C[C@@H](C(=O)Nc1ccc(cc1)OC)S | | CACTVS 3.385 | COc1ccc(NC(=O)[CH](S)CC(C)C)cc1 | | CACTVS 3.385 | COc1ccc(NC(=O)[C@@H](S)CC(C)C)cc1 |
|
| Name: | (S)-2-mercapto-N-(4-methoxyphenyl)-4-methylpentanamide;
(2~{S})-~{N}-(4-methoxyphenyl)-4-methyl-2-sulfanyl-pentanamide |
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