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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-[(4-methylphenyl)methyl]benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(p-tolylmethyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[(4-methylphenyl)methyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(4-methylbenzyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H25N5O3/c1-16-2-4-17(5-3-16)15-31-22-11-10-20(26(34)29-13-12-23(32)33)14-21(22)30-25(31)19-8-6-18(7-9-19)24(27)28/h2-11,14H,12-13,15H2,1H3,(H3,27,28)(H,29,34)(H,32,33)