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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3,3-diphenylpropyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3,3-diphenylpropyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(3,3-diphenylpropyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3,3-diphenylpropyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(3,3-diphenylpropyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C33H31N5O3 MolecularWeight: 545.63094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N)C5=CC=CC=C5

InChI

InChI=1S/C33H31N5O3/c34-31(35)24-11-13-25(14-12-24)32-37-28-21-26(33(41)36-19-17-30(39)40)15-16-29(28)38(32)20-18-27(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-16,21,27H,17-20H2,(H3,34,35)(H,36,41)(H,39,40)