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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-phenylpropyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-phenylpropyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(3-phenylpropyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-phenylpropyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3-phenylpropyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C3=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)CCCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H27N5O3/c28-25(29)19-8-10-20(11-9-19)26-31-22-17-21(27(35)30-15-14-24(33)34)12-13-23(22)32(26)16-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-13,17H,4,7,14-16H2,(H3,28,29)(H,30,35)(H,33,34)