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CHEBI:47172 - 2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE

Default Structure
ChEBI IDCHEBI:47172
ChEBI Name2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE
Stars
DownloadsMolfile
FormulaC18H13BrN4O5
Net Charge-2
Average Mass445.229
Monoisotopic Mass444.00803
SMILES[H]c1c(Br)c([O-])c(-c2nc3c([H])c(C(N([H])[H])=[N+]([H])[H])c([H])c([H])c3n2[H])c([H])c1[C@]([H])(C(=O)[O-])C([H])([H])C(=O)[O-]
InChIInChI=1S/C18H15BrN4O5/c19-11-4-8(9(18(27)28)6-14(24)25)3-10(15(11)26)17-22-12-2-1-7(16(20)21)5-13(12)23-17/h1-5,9,26H,6H2,(H3,20,21)(H,22,23)(H,24,25)(H,27,28)/p-2/t9-/m1/s1
InChIKeySJMNJNRKVVVGRB-SECBINFHSA-L
ChEBI Ontology
Outgoing Relation(s)
2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATE (CHEBI:47172) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-(3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-5-BROMO-4-OXIDOPHENYL)SUCCINATEPDBeChem
(2R)-2-(3-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-5-bromo-4-oxidophenyl)butanedioatePDBeChem
Manual XrefsDatabases
847PDBeChem