3-[[1-(1-azanyl-1-oxidanylidene-4-phenyl-butan-2-yl)-2-(4-carbamimidoylphenyl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-(1-azanyl-1-oxidanylidene-4-phenyl-butan-2-yl)-2-(4-carbamimidoylphenyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(1-carbamoyl-3-phenyl-propyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-(4-carbamimidoylphenyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(1-amino-1-oxo-4-phenylbutan-2-yl)-2-(4-carbamimidoylphenyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(1-carbamoyl-3-phenyl-propyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C28H28N6O4 MolecularWeight: 512.55972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)N)N2C3=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)CCC(C(=O)N)N2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H28N6O4/c29-25(30)18-7-9-19(10-8-18)27-33-21-16-20(28(38)32-15-14-24(35)36)11-13-22(21)34(27)23(26(31)37)12-6-17-4-2-1-3-5-17/h1-5,7-11,13,16,23H,6,12,14-15H2,(H3,29,30)(H2,31,37)(H,32,38)(H,35,36)