| PDB CCD ID: | O1I |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H15 Cl N2 O2 |
| InChI: | InChI=1S/C15H15ClN2O2/c1-10-5-6-17-8-14(10)18-15(20)13(9-19)11-3-2-4-12(16)7-11/h2-8,13,19H,9H2,1H3,(H,18,20)/t13-/m1/s1 |
| InChIKey: | YUJIYWCEKJSKBQ-CYBMUJFWSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(Nc1cnccc1C)C(CO)c1cccc(Cl)c1 | | OpenEye OEToolkits 2.0.7 | Cc1ccncc1NC(=O)C(CO)c2cccc(c2)Cl | | OpenEye OEToolkits 2.0.7 | Cc1ccncc1NC(=O)[C@H](CO)c2cccc(c2)Cl | | CACTVS 3.385 | Cc1ccncc1NC(=O)[C@H](CO)c2cccc(Cl)c2 | | CACTVS 3.385 | Cc1ccncc1NC(=O)[CH](CO)c2cccc(Cl)c2 |
|
| Name: | (2S)-2-(3-chlorophenyl)-3-hydroxy-N-(4-methylpyridin-3-yl)propanamide |
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