2-[[6-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridin-3-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[[6-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridin-3-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[6-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-3-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[[6-(6-carbamimidoyl-1H-benzimidazol-2-yl)-3-pyridinyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[6-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-3-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[6-(6-amidino-1H-benzimidazol-2-yl)nicotinoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C23H20N6O4 MolecularWeight: 444.4427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CN=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=N)N)O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CN=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(=N)N)O

InChI

InChI=1S/C23H20N6O4/c24-20(25)13-3-7-16-18(10-13)28-21(27-16)17-8-4-14(11-26-17)22(31)29-19(23(32)33)9-12-1-5-15(30)6-2-12/h1-8,10-11,19,30H,9H2,(H3,24,25)(H,27,28)(H,29,31)(H,32,33)