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

7VK

Summary
Name:2-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid
Formula:C28 H20 N2 O7
Formal charge:0
Formula weight:496.468 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[[4-[4-[(2-carboxyphenyl)carbamoyl]phenoxy]phenyl]carbonylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C28H20N2O7/c31-25(29-23-7-3-1-5-21(23)27(33)34)17-9-13-19(14-10-17)37-20-15-11-18(12-16-20)26(32)30-24-8-4-2-6-22(24)28(35)36/h1-16H,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
InChIKeyInChI1.03UIRNMCRFFYWCBB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccccc1NC(=O)c2ccc(Oc3ccc(cc3)C(=O)Nc4ccccc4C(O)=O)cc2
SMILESCACTVS3.385OC(=O)c1ccccc1NC(=O)c2ccc(Oc3ccc(cc3)C(=O)Nc4ccccc4C(O)=O)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Oc3ccc(cc3)C(=O)Nc4ccccc4C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc(c(c1)C(=O)O)NC(=O)c2ccc(cc2)Oc3ccc(cc3)C(=O)Nc4ccccc4C(=O)O

222415

数据于2024-07-10公开中

PDB statisticsPDBj update infoContact PDBjnumon