3-[[2-[3-(1H-imidazol-2-yl)propyl]-1-methyl-benzimidazol-4-yl]carbonylamino]propanoic acid dihydrobromide

Systemtic Name: 3-[[2-[3-(1H-imidazol-2-yl)propyl]-1-methyl-benzimidazol-4-yl]carbonylamino]propanoic acid dihydrobromide Openeye Name: 3-[[2-[3-(1H-imidazol-2-yl)propyl]-1-methyl-benzimidazole-4-carbonyl]amino]propanoic acid dihydrobromide CAS Name: 3-[[[2-[3-(1H-imidazol-2-yl)propyl]-1-methyl-4-benzimidazolyl]-oxomethyl]amino]propanoic acid dihydrobromide IUPAC Name: 3-[[2-[3-(1H-imidazol-2-yl)propyl]-1-methylbenzimidazole-4-carbonyl]amino]propanoic acid dihydrobromide Traditional Name: 3-[[2-[3-(1H-imidazol-2-yl)propyl]-1-methyl-benzimidazole-4-carbonyl]amino]propionic acid dihydrobromide Formula: C18H23Br2N5O3 MolecularWeight: 517.21492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=C2N=C1CCCC3=NC=CN3)C(=O)NCCC(=O)O.Br.Br

Isomeric SMILES

CN1C2=CC=CC(=C2N=C1CCCC3=NC=CN3)C(=O)NCCC(=O)O.Br.Br

InChI

InChI=1S/C18H21N5O3.2BrH/c1-23-13-5-2-4-12(18(26)21-9-8-16(24)25)17(13)22-15(23)7-3-6-14-19-10-11-20-14;;/h2,4-5,10-11H,3,6-9H2,1H3,(H,19,20)(H,21,26)(H,24,25);2*1H