4-(4-carbamimidoylphenyl)-2-[(4-carbamimidoylphenyl)methyl-(1-methylbenzimidazol-5-yl)oxycarbonyl-amino]butanoic acid

Systemtic Name: 4-(4-carbamimidoylphenyl)-2-[(4-carbamimidoylphenyl)methyl-(1-methylbenzimidazol-5-yl)oxycarbonyl-amino]butanoic acid Openeye Name: 4-(4-carbamimidoylphenyl)-2-[(4-carbamimidoylphenyl)methyl-(1-methylbenzimidazol-5-yl)oxycarbonyl-amino]butanoic acid CAS Name: 4-(4-carbamimidoylphenyl)-2-[(4-carbamimidoylphenyl)methyl-[(1-methyl-5-benzimidazolyl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 4-(4-carbamimidoylphenyl)-2-[(4-carbamimidoylphenyl)methyl-(1-methylbenzimidazol-5-yl)oxycarbonylamino]butanoic acid Traditional Name: 2-[(4-amidinobenzyl)-(1-methylbenzimidazol-5-yl)oxycarbonyl-amino]-4-(4-amidinophenyl)butyric acid Formula: C28H29N7O4 MolecularWeight: 527.57436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C=CC(=C2)OC(=O)N(CC3=CC=C(C=C3)C(=N)N)C(CCC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CN1C=NC2=C1C=CC(=C2)OC(=O)N(CC3=CC=C(C=C3)C(=N)N)C(CCC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C28H29N7O4/c1-34-16-33-22-14-21(11-13-23(22)34)39-28(38)35(15-18-4-9-20(10-5-18)26(31)32)24(27(36)37)12-6-17-2-7-19(8-3-17)25(29)30/h2-5,7-11,13-14,16,24H,6,12,15H2,1H3,(H3,29,30)(H3,31,32)(H,36,37)