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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-pyridin-2-ylethyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[2-(2-pyridinyl)ethyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-pyridin-2-ylethyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-[2-(2-pyridyl)ethyl]benzimidazole-5-carbonyl]amino]propionic acid Formula: C25H24N6O3 MolecularWeight: 456.49646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=NC(=C1)CCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H24N6O3/c26-23(27)16-4-6-17(7-5-16)24-30-20-15-18(25(34)29-13-10-22(32)33)8-9-21(20)31(24)14-11-19-3-1-2-12-28-19/h1-9,12,15H,10-11,13-14H2,(H3,26,27)(H,29,34)(H,32,33)