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

88D

Summary
Name:N-(2-methylphenyl)-Nalpha-(selenophene-2-carbonyl)-D-phenylalaninamide
Formula:C21 H20 N2 O2 Se
Formal charge:0
Formula weight:411.356 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(2-methylphenyl)-Nalpha-(selenophene-2-carbonyl)-D-phenylalaninamide
OpenEye OEToolkits2.0.6~{N}-[(2~{R})-1-[(2-methylphenyl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]selenophene-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3[se]ccc3
InChIInChI1.03InChI=1S/C21H20N2O2Se/c1-15-8-5-6-11-17(15)22-20(24)18(14-16-9-3-2-4-10-16)23-21(25)19-12-7-13-26-19/h2-13,18H,14H2,1H3,(H,22,24)(H,23,25)/t18-/m1/s1
InChIKeyInChI1.03AGKDXQQYJWMFAB-GOSISDBHSA-N
SMILES_CANONICALCACTVS3.385Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3[se]ccc3
SMILESCACTVS3.385Cc1ccccc1NC(=O)[CH](Cc2ccccc2)NC(=O)c3[se]ccc3
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1ccccc1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c3ccc[se]3
SMILESOpenEye OEToolkits2.0.6Cc1ccccc1NC(=O)C(Cc2ccccc2)NC(=O)c3ccc[se]3

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon