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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCCCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H29N5O3/c29-26(30)20-9-11-21(12-10-20)27-32-23-18-22(28(36)31-16-15-25(34)35)13-14-24(23)33(27)17-5-4-8-19-6-2-1-3-7-19/h1-3,6-7,9-14,18H,4-5,8,15-17H2,(H3,29,30)(H,31,36)(H,34,35)