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QZK

Summary
Name:{[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid)
Formula:C13 H15 N O8 P2 S
Formal charge:0
Formula weight:407.273 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{[(biphenyl-4-ylsulfonyl)amino]methanediyl}bis(phosphonic acid)
OpenEye OEToolkits1.7.6[[(4-phenylphenyl)sulfonylamino]-phosphono-methyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(NC(P(=O)(O)O)P(=O)(O)O)c2ccc(c1ccccc1)cc2
InChIInChI1.03InChI=1S/C13H15NO8P2S/c15-23(16,17)13(24(18,19)20)14-25(21,22)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H,(H2,15,16,17)(H2,18,19,20)
InChIKeyInChI1.03SZOCMHFDKYEXMY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O[P](O)(=O)C(N[S](=O)(=O)c1ccc(cc1)c2ccccc2)[P](O)(O)=O
SMILESCACTVS3.385O[P](O)(=O)C(N[S](=O)(=O)c1ccc(cc1)c2ccccc2)[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)c2ccc(cc2)S(=O)(=O)NC(P(=O)(O)O)P(=O)(O)O

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PDB entries from 2024-10-09

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