3-[[2-(4-carbamimidoylphenyl)-1-tetradecyl-benzimidazol-5-yl]carbonylamino]propanoic acid dihydrobromide

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-tetradecyl-benzimidazol-5-yl]carbonylamino]propanoic acid dihydrobromide Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-tetradecyl-benzimidazole-5-carbonyl]amino]propanoic acid dihydrobromide CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-tetradecyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid dihydrobromide IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-tetradecylbenzimidazole-5-carbonyl]amino]propanoic acid dihydrobromide Traditional Name: 3-[[2-(4-amidinophenyl)-1-myristyl-benzimidazole-5-carbonyl]amino]propionic acid dihydrobromide Formula: C32H47Br2N5O3 MolecularWeight: 709.55528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N.Br.Br

Isomeric SMILES

CCCCCCCCCCCCCCN1C2=C(C=C(C=C2)C(=O)NCCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N.Br.Br

InChI

InChI=1S/C32H45N5O3.2BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-37-28-19-18-26(32(40)35-21-20-29(38)39)23-27(28)36-31(37)25-16-14-24(15-17-25)30(33)34;;/h14-19,23H,2-13,20-22H2,1H3,(H3,33,34)(H,35,40)(H,38,39);2*1H