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

GWI

Summary
Name:N-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide
Formula:C26 H21 Cl2 N3 O6 S
Formal charge:0
Formula weight:574.432 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide
OpenEye OEToolkits1.5.0N-[4-[2-[4-chloro-2-(3-chloro-5-cyano-phenyl)carbonyl-phenoxy]ethanoylamino]-3-methyl-phenyl]sulfonylpropanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04N#Cc1cc(cc(Cl)c1)C(=O)c3cc(Cl)ccc3OCC(=O)Nc2ccc(cc2C)S(=O)(=O)NC(=O)CC
SMILES_CANONICALCACTVS3.341CCC(=O)N[S](=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c3cc(Cl)cc(c3)C#N)c(C)c1
SMILESCACTVS3.341CCC(=O)N[S](=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)c3cc(Cl)cc(c3)C#N)c(C)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0CCC(=O)NS(=O)(=O)c1ccc(c(c1)C)NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl
SMILESOpenEye OEToolkits1.5.0CCC(=O)NS(=O)(=O)c1ccc(c(c1)C)NC(=O)COc2ccc(cc2C(=O)c3cc(cc(c3)Cl)C#N)Cl
InChIInChI1.03InChI=1S/C26H21Cl2N3O6S/c1-3-24(32)31-38(35,36)20-5-6-22(15(2)8-20)30-25(33)14-37-23-7-4-18(27)12-21(23)26(34)17-9-16(13-29)10-19(28)11-17/h4-12H,3,14H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyInChI1.03GAQZNFUDILDDDI-UHFFFAOYSA-N

222415

건을2024-07-10부터공개중

PDB statisticsPDBj update infoContact PDBjnumon