Chemical Component Summary

Name1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID
Identifiers5-[(4-nitrophenyl)methyl-(phosphonomethyl)amino]pentanoic acid
FormulaC13 H19 N2 O7 P
Molecular Weight346.273
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1C[N@@](CCCCC(=O)O)CP(=O)(O)O)[N+](=O)[O-]
InChIInChI=1S/C13H19N2O7P/c16-13(17)3-1-2-8-14(10-23(20,21)22)9-11-4-6-12(7-5-11)15(18)19/h4-7H,1-3,8-10H2,(H,16,17)(H2,20,21,22)
InChIKeyRWVBLRUMXIXUAR-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count42
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB07329 
Name1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID
Groups experimental
Synonyms1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID

Drug Targets

NameTarget SequencePharmacological ActionActions
Ig gamma-2 chain C regionASTKGPSVFPLAPCSRSTSESTAALGCLVKDYFPEPVTVSWNSGALTSGV...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 445651
ChEBI CHEBI:40413