39C
Summary
Name: | (2S,4R)-2-amino-5-hydroxy-4-methyl-1-phenylpentan-3-one |
Formula: | C12 H17 N O2 |
Formal charge: | 0 |
Formula weight: | 207.269 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | (2S,4R)-2-amino-5-hydroxy-4-methyl-1-phenylpentan-3-one |
OpenEye OEToolkits | 1.7.6 | (2R,4S)-4-azanyl-2-methyl-1-oxidanyl-5-phenyl-pentan-3-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(C(N)Cc1ccccc1)C(C)CO |
InChI | InChI | 1.03 | 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 | InChI | 1.03 | OVHBSFZAVHCWPL-KOLCDFICSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CO)C(=O)[C@@H](N)Cc1ccccc1 |
SMILES | CACTVS | 3.385 | C[CH](CO)C(=O)[CH](N)Cc1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H](CO)C(=O)[C@H](Cc1ccccc1)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(CO)C(=O)C(Cc1ccccc1)N |