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OVR

Summary
Name:(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
Formula:C17 H23 N O4
Formal charge:0
Formula weight:305.369 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
OpenEye OEToolkits2.0.7[(1~{R},3~{S},5~{R},6~{S})-8-methyl-6-oxidanyl-8-azabicyclo[3.2.1]octan-3-yl] (2~{S})-3-oxidanyl-2-phenyl-propanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN1C2CC(CC1C(O)C2)OC(=O)C(CO)c1ccccc1
InChIInChI1.03InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1
InChIKeyInChI1.03WTQYWNWRJNXDEG-RBZJEDDUSA-N
SMILES_CANONICALCACTVS3.385CN1[C@@H]2C[C@H](O)[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3
SMILESCACTVS3.385CN1[CH]2C[CH](O)[CH]1C[CH](C2)OC(=O)[CH](CO)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)c3ccccc3
SMILESOpenEye OEToolkits2.0.7CN1C2CC(CC1C(C2)O)OC(=O)C(CO)c3ccccc3

222415

PDB entries from 2024-07-10

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