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

Systemtic Name: 3-[[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-phenyl-amino]propanoic acid Openeye Name: 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)propanoic acid CAS Name: 3-(N-[[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]anilino)propanoic acid IUPAC Name: 3-(N-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]oxycarbonylanilino)propanoic acid Traditional Name: 3-(N-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]oxycarbonylanilino)propionic acid Formula: C26H26N6O4 MolecularWeight: 486.52244

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H26N6O4/c1-31-22-12-11-20(36-26(35)32(14-13-24(33)34)19-5-3-2-4-6-19)15-21(22)30-23(31)16-29-18-9-7-17(8-10-18)25(27)28/h2-12,15,29H,13-14,16H2,1H3,(H3,27,28)(H,33,34)