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KZR

Summary
Name:N-(6-carbamimidamidohexyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Formula:C23 H39 N5 O
Formal charge:0
Formula weight:401.589 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(6-carbamimidamidohexyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
OpenEye OEToolkits2.0.7~{N}-(6-carbamimidamidohexyl)-~{N}-[1-(2-phenylethyl)piperidin-4-yl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCC(=O)N(CCCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1
InChIInChI1.03InChI=1S/C23H39N5O/c1-2-22(29)28(16-9-4-3-8-15-26-23(24)25)21-13-18-27(19-14-21)17-12-20-10-6-5-7-11-20/h5-7,10-11,21H,2-4,8-9,12-19H2,1H3,(H4,24,25,26)
InChIKeyInChI1.03DFIQEYNYBQJLCL-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCC(=O)N(CCCCCCNC(N)=N)C1CCN(CC1)CCc2ccccc2
SMILESCACTVS3.385CCC(=O)N(CCCCCCNC(N)=N)C1CCN(CC1)CCc2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.7[H]/N=C(\N)/NCCCCCCN(C1CCN(CC1)CCc2ccccc2)C(=O)CC
SMILESOpenEye OEToolkits2.0.7CCC(=O)N(CCCCCCNC(=N)N)C1CCN(CC1)CCc2ccccc2

222415

건을2024-07-10부터공개중

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