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AUS

Summary
Name:(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide
Formula:C14 H18 N2 O2
Formal charge:0
Formula weight:246.305 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R})-~{N}-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)spiro[2.3]hexane-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C14H18N2O2/c17-13(10-8-14(10)6-3-7-14)15-12-9-4-1-2-5-11(9)18-16-12/h10H,1-8H2,(H,15,16,17)/t10-/m0/s1
InChIKeyInChI1.06LRTIDDCMWUKSQP-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385O=C(Nc1noc2CCCCc12)[C@@H]3CC34CCC4
SMILESCACTVS3.385O=C(Nc1noc2CCCCc12)[CH]3CC34CCC4
SMILES_CANONICALOpenEye OEToolkits2.0.7C1CCc2c(c(no2)NC(=O)[C@@H]3CC34CCC4)C1
SMILESOpenEye OEToolkits2.0.7C1CCc2c(c(no2)NC(=O)C3CC34CCC4)C1

222415

PDB entries from 2024-07-10

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