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SummaryGeometryRelated PDB entries

9CY

Summary
Name:N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide
Formula:C21 H20 N2 O2
Formal charge:0
Formula weight:332.396 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide
OpenEye OEToolkits2.0.6~{N}-[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]-4-pyridin-4-yl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n3ccc(c1ccc(cc1)C(=O)NC(Cc2ccccc2)CO)cc3
InChIInChI1.03InChI=1S/C21H20N2O2/c24-15-20(14-16-4-2-1-3-5-16)23-21(25)19-8-6-17(7-9-19)18-10-12-22-13-11-18/h1-13,20,24H,14-15H2,(H,23,25)/t20-/m0/s1
InChIKeyInChI1.03YVKVSKQNYIHXPX-FQEVSTJZSA-N
SMILES_CANONICALCACTVS3.385OC[C@H](Cc1ccccc1)NC(=O)c2ccc(cc2)c3ccncc3
SMILESCACTVS3.385OC[CH](Cc1ccccc1)NC(=O)c2ccc(cc2)c3ccncc3
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)C[C@@H](CO)NC(=O)c2ccc(cc2)c3ccncc3
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)CC(CO)NC(=O)c2ccc(cc2)c3ccncc3

218500

PDB entries from 2024-04-17

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