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EOB

Summary
Name:{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID)
Synonyms:2,2'-(1,3-PHENYLENEBIS(AZANEDIYL))BIS(2-OXOETHANE-2,1DIYL)DIPHOSPHONIC ACID
Formula:C10 H14 N2 O8 P2
Formal charge:0
Formula weight:352.174 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04{benzene-1,3-diylbis[imino(2-oxoethane-2,1-diyl)]}bis(phosphonic acid)
OpenEye OEToolkits1.5.0[2-oxo-2-[[3-(2-phosphonoethanoylamino)phenyl]amino]ethyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(Nc1cccc(c1)NC(=O)CP(=O)(O)O)CP(=O)(O)O
SMILES_CANONICALCACTVS3.341O[P](O)(=O)CC(=O)Nc1cccc(NC(=O)C[P](O)(O)=O)c1
SMILESCACTVS3.341O[P](O)(=O)CC(=O)Nc1cccc(NC(=O)C[P](O)(O)=O)c1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)NC(=O)CP(=O)(O)O)NC(=O)CP(=O)(O)O
InChIInChI1.03InChI=1S/C10H14N2O8P2/c13-9(5-21(15,16)17)11-7-2-1-3-8(4-7)12-10(14)6-22(18,19)20/h1-4H,5-6H2,(H,11,13)(H,12,14)(H2,15,16,17)(H2,18,19,20)
InChIKeyInChI1.03BHGKTXYPXMTFLT-UHFFFAOYSA-N

223532

PDB entries from 2024-08-07

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