3-[2-benzamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[2-benzamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoic acid Openeye Name: 3-[2-benzamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoic acid CAS Name: 3-[2-benzamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoic acid IUPAC Name: 3-[2-benzamido-4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]phenyl]propanoic acid Traditional Name: 3-[4-[5-(4-amidinophenyl)-1H-imidazol-2-yl]-2-benzamido-phenyl]propionic acid Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=NC=C(N3)C4=CC=C(C=C4)C(=N)N)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=NC=C(N3)C4=CC=C(C=C4)C(=N)N)CCC(=O)O

InChI

InChI=1S/C26H23N5O3/c27-24(28)18-9-6-17(7-10-18)22-15-29-25(30-22)20-11-8-16(12-13-23(32)33)21(14-20)31-26(34)19-4-2-1-3-5-19/h1-11,14-15H,12-13H2,(H3,27,28)(H,29,30)(H,31,34)(H,32,33)