2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonylamino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]carbonylamino]-2-phenyl-ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazole-5-carbonyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazole-5-carbonyl]amino]-2-phenylacetic acid Traditional Name: 2-[[2-(4-amidinobenzyl)-1-methyl-benzimidazole-5-carbonyl]amino]-2-phenyl-acetic acid Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NC(C3=CC=CC=C3)C(=O)O)N=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NC(C3=CC=CC=C3)C(=O)O)N=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H23N5O3/c1-30-20-12-11-18(24(31)29-22(25(32)33)16-5-3-2-4-6-16)14-19(20)28-21(30)13-15-7-9-17(10-8-15)23(26)27/h2-12,14,22H,13H2,1H3,(H3,26,27)(H,29,31)(H,32,33)