3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]propanoic acid

Systemtic Name: 3-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]propanoic acid Openeye Name: 3-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)propanoic acid CAS Name: 3-(N-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]anilino)propanoic acid IUPAC Name: 3-(N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]oxycarbonylanilino)propanoic acid Traditional Name: 3-(N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)propionic acid Formula: C27H27N5O4 MolecularWeight: 485.53438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC(=O)N(CCC(=O)O)C3=CC=CC=C3)N=C1CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC(=O)N(CCC(=O)O)C3=CC=CC=C3)N=C1CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H27N5O4/c1-31-23-13-12-21(36-27(35)32(16-15-25(33)34)20-5-3-2-4-6-20)17-22(23)30-24(31)14-9-18-7-10-19(11-8-18)26(28)29/h2-8,10-13,17H,9,14-16H2,1H3,(H3,28,29)(H,33,34)