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

Systemtic Name: 3-[1-[2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]propanoic acid Openeye Name: 3-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]propanoic acid CAS Name: 3-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methyl-5-benzimidazolyl]-5-phenyl-3-pyrazolyl]propanoic acid IUPAC Name: 3-[1-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-5-phenylpyrazol-3-yl]propanoic acid Traditional Name: 3-[1-[2-[(4-amidinoanilino)methyl]-1-methyl-benzimidazol-5-yl]-5-phenyl-pyrazol-3-yl]propionic acid Formula: C28H27N7O2 MolecularWeight: 493.55968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N3C(=CC(=N3)CCC(=O)O)C4=CC=CC=C4)N=C1CNC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N3C(=CC(=N3)CCC(=O)O)C4=CC=CC=C4)N=C1CNC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H27N7O2/c1-34-24-13-12-22(16-23(24)32-26(34)17-31-20-9-7-19(8-10-20)28(29)30)35-25(18-5-3-2-4-6-18)15-21(33-35)11-14-27(36)37/h2-10,12-13,15-16,31H,11,14,17H2,1H3,(H3,29,30)(H,36,37)