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D85

Summary
Name:3-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid
Formula:C18 H15 Cl2 N3 O4 S2
Formal charge:0
Formula weight:472.365 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.73-[[5-chloranyl-4-(4-chlorophenyl)-1,3-thiazol-2-yl]-(4-sulfamoylphenyl)amino]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H15Cl2N3O4S2/c19-12-3-1-11(2-4-12)16-17(20)28-18(22-16)23(10-9-15(24)25)13-5-7-14(8-6-13)29(21,26)27/h1-8H,9-10H2,(H,24,25)(H2,21,26,27)
InChIKeyInChI1.06CCRRLYHDIDPHEH-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(cc1)N(CCC(O)=O)c2sc(Cl)c(n2)c3ccc(Cl)cc3
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(cc1)N(CCC(O)=O)c2sc(Cl)c(n2)c3ccc(Cl)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(ccc1c2c(sc(n2)N(CCC(=O)O)c3ccc(cc3)S(=O)(=O)N)Cl)Cl
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1c2c(sc(n2)N(CCC(=O)O)c3ccc(cc3)S(=O)(=O)N)Cl)Cl

221716

PDB entries from 2024-06-26

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