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

Systemtic Name: 4-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]butanoic acid Openeye Name: 4-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)butanoic acid CAS Name: 4-(N-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]anilino)butanoic acid IUPAC Name: 4-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]oxycarbonylanilino)butanoic acid Traditional Name: 4-(N-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)butyric acid Formula: C27H28N6O4 MolecularWeight: 500.54902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC(=O)N(CCCC(=O)O)C3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC(=O)N(CCCC(=O)O)C3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H28N6O4/c1-32-23-14-13-21(37-27(36)33(15-5-8-25(34)35)20-6-3-2-4-7-20)16-22(23)31-24(32)17-30-19-11-9-18(10-12-19)26(28)29/h2-4,6-7,9-14,16,30H,5,8,15,17H2,1H3,(H3,28,29)(H,34,35)