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HYO

Summary
Name:[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
Formula:C17 H23 N O3
Formal charge:0
Formula weight:289.369 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(1~{R},5~{S})-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2~{S})-3-oxidanyl-2-phenyl-propanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1
InChIKeyInChI1.03RKUNBYITZUJHSG-FXUDXRNXSA-N
SMILES_CANONICALCACTVS3.385CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3
SMILESCACTVS3.385CN1[CH]2CC[CH]1C[CH](C2)OC(=O)[CH](CO)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3
SMILESOpenEye OEToolkits2.0.7CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3

218853

PDB entries from 2024-04-24

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