| PDB CCD ID: | 39C |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C12 H17 N O2 |
| InChI: | InChI=1S/C12H17NO2/c1-9(8-14)12(15)11(13)7-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8,13H2,1H3/t9-,11+/m1/s1 |
| InChIKey: | OVHBSFZAVHCWPL-KOLCDFICSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[CH](CO)C(=O)[CH](N)Cc1ccccc1 | | OpenEye OEToolkits 1.7.6 | CC(CO)C(=O)C(Cc1ccccc1)N | | CACTVS 3.385 | C[C@H](CO)C(=O)[C@@H](N)Cc1ccccc1 | | OpenEye OEToolkits 1.7.6 | C[C@H](CO)C(=O)[C@H](Cc1ccccc1)N | | ACDLabs 12.01 | O=C(C(N)Cc1ccccc1)C(C)CO |
|
| Name: | (2S,4R)-2-amino-5-hydroxy-4-methyl-1-phenylpentan-3-one |
| ZINC: | ZINC000098208411 |
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