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LRN

Summary
Name:1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one
Formula:C20 H36 N2 O2
Formal charge:0
Formula weight:336.512 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one
OpenEye OEToolkits2.0.71-[(3~{R})-3-[cyclohexylmethyl-(4-oxidanylcyclohexyl)amino]piperidin-1-yl]ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(C)N1CCCC(C1)N(CC1CCCCC1)C1CCC(O)CC1
InChIInChI1.06InChI=1S/C20H36N2O2/c1-16(23)21-13-5-8-19(15-21)22(14-17-6-3-2-4-7-17)18-9-11-20(24)12-10-18/h17-20,24H,2-15H2,1H3/t18-,19-,20-/m1/s1
InChIKeyInChI1.06BWGFBDXTNPNCAD-VAMGGRTRSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N1CCC[C@H](C1)N(CC2CCCCC2)[C@H]3CC[C@H](O)CC3
SMILESCACTVS3.385CC(=O)N1CCC[CH](C1)N(CC2CCCCC2)[CH]3CC[CH](O)CC3
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N1CCC[C@H](C1)N(CC2CCCCC2)C3CCC(CC3)O
SMILESOpenEye OEToolkits2.0.7CC(=O)N1CCCC(C1)N(CC2CCCCC2)C3CCC(CC3)O

227111

數據於2024-11-06公開中

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