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CHEBI:40191 - 2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE

Default Structure
ChEBI IDCHEBI:40191
ChEBI Name2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC24H17FN4O5
Net Charge-2
Average Mass460.421
Monoisotopic Mass460.11940
SMILES[H]c1c([H])c([H])c(-c2c([H])c([C@]([H])(C(=O)[O-])C([H])([H])C(=O)[O-])c([H])c(-c3nc4c([H])c(C(N([H])[H])=[N+]([H])[H])c([H])c([H])c4n3[H])c2[O-])c(F)c1[H]
InChIInChI=1S/C24H19FN4O5/c25-17-4-2-1-3-13(17)15-7-12(14(24(33)34)10-20(30)31)8-16(21(15)32)23-28-18-6-5-11(22(26)27)9-19(18)29-23/h1-9,14,32H,10H2,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t14-/m1/s1
InChIKeyXCOFROALSAFROV-CQSZACIVSA-L
ChEBI Ontology
Outgoing Relation(s)
2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE (CHEBI:40191) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-FLUORO-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATEPDBeChem
(2R)-2-(5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-2'-fluoro-6-oxidobiphenyl-3-yl)butanedioatePDBeChem
Manual XrefsDatabases
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