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

Systemtic Name: 3-[[2-(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-benzyloxycarbonyl-2-carbamimidoyl-phenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(2-carbamimidoyl-4-phenylmethoxycarbonylphenyl)-1-(4-phenylbutyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(2-carbamimidoyl-4-phenylmethoxycarbonylphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(2-amidino-4-carbobenzoxy-phenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C36H35N5O5 MolecularWeight: 617.6936

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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=C(C=C(C=C4)C(=O)OCC5=CC=CC=C5)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCCCN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=C(C=C(C=C4)C(=O)OCC5=CC=CC=C5)C(=N)N

InChI

InChI=1S/C36H35N5O5/c37-33(38)29-21-27(36(45)46-23-25-12-5-2-6-13-25)14-16-28(29)34-40-30-22-26(35(44)39-19-18-32(42)43)15-17-31(30)41(34)20-8-7-11-24-9-3-1-4-10-24/h1-6,9-10,12-17,21-22H,7-8,11,18-20,23H2,(H3,37,38)(H,39,44)(H,42,43)