3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-(3-phenylpropoxy)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-(3-phenylpropoxy)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-(3-phenylpropoxy)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-6-(3-phenylpropoxy)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-(3-phenylpropoxy)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-6-(3-phenylpropoxy)benzimidazole-5-carbonyl]amino]propionic acid Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C(=C2)OCCCC3=CC=CC=C3)C(=O)NCCC(=O)O)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C(=C2)OCCCC3=CC=CC=C3)C(=O)NCCC(=O)O)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H29N5O4/c1-33-23-17-24(37-15-5-8-18-6-3-2-4-7-18)21(28(36)31-14-13-25(34)35)16-22(23)32-27(33)20-11-9-19(10-12-20)26(29)30/h2-4,6-7,9-12,16-17H,5,8,13-15H2,1H3,(H3,29,30)(H,31,36)(H,34,35)