3-[[2-[[(4-carbamimidoyl-2-methoxy-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoic acid

Systemtic Name: 3-[[2-[[(4-carbamimidoyl-2-methoxy-phenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-phenyl-amino]propanoic acid Openeye Name: 3-(N-[2-[(4-carbamimidoyl-2-methoxy-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propanoic acid CAS Name: 3-(N-[[2-[(4-carbamimidoyl-2-methoxyanilino)methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]anilino)propanoic acid IUPAC Name: 3-(N-[2-[(4-carbamimidoyl-2-methoxyanilino)methyl]-1-methylbenzimidazole-5-carbonyl]anilino)propanoic acid Traditional Name: 3-(N-[2-[(4-amidino-2-methoxy-anilino)methyl]-1-methyl-benzimidazole-5-carbonyl]anilino)propionic acid Formula: C27H28N6O4 MolecularWeight: 500.54902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N6O4/c1-32-22-11-9-18(27(36)33(13-12-25(34)35)19-6-4-3-5-7-19)14-21(22)31-24(32)16-30-20-10-8-17(26(28)29)15-23(20)37-2/h3-11,14-15,30H,12-13,16H2,1-2H3,(H3,28,29)(H,34,35)