methyl 3-[[2-(2-carbamimidoyl-4-diethylphosphoryl-phenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(2-carbamimidoyl-4-diethylphosphoryl-phenyl)-1-(4-phenylbutyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(2-carbamimidoyl-4-diethylphosphoryl-phenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(2-carbamimidoyl-4-diethylphosphorylphenyl)-1-(4-phenylbutyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(2-carbamimidoyl-4-diethylphosphorylphenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(2-amidino-4-diethylphosphoryl-phenyl)-1-(4-phenylbutyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C33H40N5O4P MolecularWeight: 601.675561

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCP(=O)(CC)C1=CC(=C(C=C1)C2=NC3=C(N2CCCCC4=CC=CC=C4)C=CC(=C3)C(=O)NCCC(=O)OC)C(=N)N

Isomeric SMILES

CCP(=O)(CC)C1=CC(=C(C=C1)C2=NC3=C(N2CCCCC4=CC=CC=C4)C=CC(=C3)C(=O)NCCC(=O)OC)C(=N)N

InChI

InChI=1S/C33H40N5O4P/c1-4-43(41,5-2)25-15-16-26(27(22-25)31(34)35)32-37-28-21-24(33(40)36-19-18-30(39)42-3)14-17-29(28)38(32)20-10-9-13-23-11-7-6-8-12-23/h6-8,11-12,14-17,21-22H,4-5,9-10,13,18-20H2,1-3H3,(H3,34,35)(H,36,40)