6-acetamido-2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-acetamido-2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonylamino]hexanoic acid Openeye Name: 6-acetamido-2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]amino]hexanoic acid CAS Name: 6-acetamido-2-[[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-acetamido-2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]amino]hexanoic acid Traditional Name: 6-acetamido-2-[[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]amino]hexanoic acid Formula: C26H32N6O4 MolecularWeight: 492.57008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CC(=O)NCCCCC(C(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(=N2)CCC3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C26H32N6O4/c1-16(33)29-14-4-3-5-20(26(35)36)31-25(34)19-11-12-22-21(15-19)30-23(32(22)2)13-8-17-6-9-18(10-7-17)24(27)28/h6-7,9-12,15,20H,3-5,8,13-14H2,1-2H3,(H3,27,28)(H,29,33)(H,31,34)(H,35,36)