2-[[6-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[6-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[6-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[6-(6-carbamimidoyl-1H-benzimidazol-2-yl)-3-pyridinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[6-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[6-(6-amidino-1H-benzimidazol-2-yl)nicotinoyl]amino]-3-phenyl-propionic acid Formula: C23H20N6O3 MolecularWeight: 428.4433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CN=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CN=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C23H20N6O3/c24-20(25)14-6-8-16-18(11-14)28-21(27-16)17-9-7-15(12-26-17)22(30)29-19(23(31)32)10-13-4-2-1-3-5-13/h1-9,11-12,19H,10H2,(H3,24,25)(H,27,28)(H,29,30)(H,31,32)