3D6

?

Summary

Name:N~2~-[4-(pyridin-3-yl)benzyl]-L-lysinamide
Formula:C18 H24 N4 O
Formal charge:0
Molecular weight:312.409 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~2~-[4-(pyridin-3-yl)benzyl]-L-lysinamide
OpenEye OEToolkits1.9.2(2S)-6-azanyl-2-[(4-pyridin-3-ylphenyl)methylamino]hexanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N)C(NCc2ccc(c1cccnc1)cc2)CCCCN
InChIInChI1.03InChI=1S/C18H24N4O/c19-10-2-1-5-17(18(20)23)22-12-14-6-8-15(9-7-14)16-4-3-11-21-13-16/h3-4,6-9,11,13,17,22H,1-2,5,10,12,19H2,(H2,20,23)/t17-/m0/s1
InChIKeyInChI1.03KSWNFCZKQDWGEE-KRWDZBQOSA-N
SMILES_CANONICALCACTVS3.385NCCCC[C@H](NCc1ccc(cc1)c2cccnc2)C(N)=O
SMILESCACTVS3.385NCCCC[CH](NCc1ccc(cc1)c2cccnc2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(cnc1)c2ccc(cc2)CN[C@@H](CCCCN)C(=O)N
SMILESOpenEye OEToolkits1.9.2c1cc(cnc1)c2ccc(cc2)CNC(CCCCN)C(=O)N
170172
PDB entries from 2020-10-21