Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

QQB

Summary
Name:~{N}-[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]methanamide
Formula:C14 H16 N2 O2
Formal charge:0
Formula weight:244.289 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{S})-2-azanyl-3-naphthalen-1-yl-propyl]carbamic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C14H16N2O2/c15-12(9-16-14(17)18)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,12,16H,8-9,15H2,(H,17,18)/t12-/m0/s1
InChIKeyInChI1.06MYAGWVBNZBWFOS-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385N[C@H](CNC(O)=O)Cc1cccc2ccccc12
SMILESCACTVS3.385N[CH](CNC(O)=O)Cc1cccc2ccccc12
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)cccc2C[C@@H](CNC(=O)O)N
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)cccc2CC(CNC(=O)O)N

222624

건을2024-07-17부터공개중

PDB statisticsPDBj update infoContact PDBjnumon