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CHEBI:39812 - 2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-METHOXY-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE

Default Structure
ChEBI IDCHEBI:39812
ChEBI Name2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-METHOXY-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC25H20N4O6
Net Charge-2
Average Mass472.457
Monoisotopic Mass472.13938
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(OC([H])([H])[H])c1[H]
InChIInChI=1S/C25H22N4O6/c1-35-20-5-3-2-4-14(20)16-8-13(15(25(33)34)11-21(30)31)9-17(22(16)32)24-28-18-7-6-12(23(26)27)10-19(18)29-24/h2-10,15,32H,11H2,1H3,(H3,26,27)(H,28,29)(H,30,31)(H,33,34)/p-2/t15-/m1/s1
InChIKeyHVNXYZZCSQONQC-OAHLLOKOSA-L
ChEBI Ontology
Outgoing Relation(s)
2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-METHOXY-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE (CHEBI:39812) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-(5-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-2'-METHOXY-6-OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATEPDBeChem
(2R)-2-(5-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-2'-methoxy-6-oxidobiphenyl-3-yl)butanedioatePDBeChem
Manual XrefsDatabases
312PDBeChem