3-[4-[3-(4-carbamimidoylphenyl)-2-pyridin-3-ylimino-imidazolidin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-pyridin-3-ylimino-imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-(3-pyridylimino)imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-(3-pyridinylimino)-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-pyridin-3-yliminoimidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-(3-pyridylimino)imidazolidin-1-yl]phenyl]propionic acid Formula: C24H24N6O2 MolecularWeight: 428.48636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=NC2=CN=CC=C2)N1C3=CC=C(C=C3)CCC(=O)O)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CN(C(=NC2=CN=CC=C2)N1C3=CC=C(C=C3)CCC(=O)O)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C24H24N6O2/c25-23(26)18-6-10-21(11-7-18)30-15-14-29(24(30)28-19-2-1-13-27-16-19)20-8-3-17(4-9-20)5-12-22(31)32/h1-4,6-11,13,16H,5,12,14-15H2,(H3,25,26)(H,31,32)