3C6

Summary
Name:N~2~-[4-(pyridin-3-yl)benzoyl]-L-lysinamide
Formula:C18 H22 N4 O2
Formal charge:0
Formula weight:326.393 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~2~-[4-(pyridin-3-yl)benzoyl]-L-lysinamide
OpenEye OEToolkits1.9.2N-[(2S)-1,6-bis(azanyl)-1-oxidanylidene-hexan-2-yl]-4-pyridin-3-yl-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(N)C(NC(=O)c2ccc(c1cccnc1)cc2)CCCCN
InChIInChI1.03InChI=1S/C18H22N4O2/c19-10-2-1-5-16(17(20)23)22-18(24)14-8-6-13(7-9-14)15-4-3-11-21-12-15/h3-4,6-9,11-12,16H,1-2,5,10,19H2,(H2,20,23)(H,22,24)/t16-/m0/s1
InChIKeyInChI1.03VJTHQFAZPHZKKW-INIZCTEOSA-N
SMILES_CANONICALCACTVS3.385NCCCC[C@H](NC(=O)c1ccc(cc1)c2cccnc2)C(N)=O
SMILESCACTVS3.385NCCCC[CH](NC(=O)c1ccc(cc1)c2cccnc2)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2c1cc(cnc1)c2ccc(cc2)C(=O)N[C@@H](CCCCN)C(=O)N
SMILESOpenEye OEToolkits1.9.2c1cc(cnc1)c2ccc(cc2)C(=O)NC(CCCCN)C(=O)N

MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB Foundation
wwPDBRCSB PDBPDBeBMRBAdv. SearchSearch help

178938

PDB entries from 2021-06-16