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

RB9

Summary
Name:N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide
Formula:C30 H28 N4 O2 S
Formal charge:0
Formula weight:508.634 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide
OpenEye OEToolkits1.7.02-[2-[2-(1H-indol-3-yl)ethylamino]ethanoylamino]-4-phenyl-N-(phenylmethyl)thiophene-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc2scc(c1ccccc1)c2C(=O)NCc3ccccc3)CNCCc5c4ccccc4nc5
SMILES_CANONICALCACTVS3.370O=C(CNCCc1c[nH]c2ccccc12)Nc3scc(c4ccccc4)c3C(=O)NCc5ccccc5
SMILESCACTVS3.370O=C(CNCCc1c[nH]c2ccccc12)Nc3scc(c4ccccc4)c3C(=O)NCc5ccccc5
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CNCCc3c[nH]c4c3cccc4)c5ccccc5
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CNCCc3c[nH]c4c3cccc4)c5ccccc5
InChIInChI1.03InChI=1S/C30H28N4O2S/c35-27(19-31-16-15-23-18-32-26-14-8-7-13-24(23)26)34-30-28(25(20-37-30)22-11-5-2-6-12-22)29(36)33-17-21-9-3-1-4-10-21/h1-14,18,20,31-32H,15-17,19H2,(H,33,36)(H,34,35)
InChIKeyInChI1.03NZMGUKNNKODUOD-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon