F56

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Summary

Name:3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one
Formula:C15 H21 N O3
Formal charge:0
Molecular weight:263.332 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[(~{E},2~{S},4~{S})-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1~{H}-pyridin-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H21NO3/c1-4-5-6-10(2)9-11(3)14(18)13-12(17)7-8-16-15(13)19/h4-5,7-8,10-11H,6,9H2,1-3H3,(H2,16,17,19)/b5-4+/t10-,11-/m0/s1
InChIKeyInChI1.03XOAZFUVQLCZQIQ-NNOMMRTBSA-N
SMILES_CANONICALCACTVS3.385C\C=C\C[C@H](C)C[C@H](C)C(=O)C1=C(O)C=CNC1=O
SMILESCACTVS3.385CC=CC[CH](C)C[CH](C)C(=O)C1=C(O)C=CNC1=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C/C=C/C[C@H](C)C[C@H](C)C(=O)C1=C(C=CNC1=O)O
SMILESOpenEye OEToolkits2.0.7CC=CCC(C)CC(C)C(=O)C1=C(C=CNC1=O)O
170172
PDB entries from 2020-10-21