3-[3-(4-carbamimidoylphenyl)-4-imidazo[1,2-a]pyridin-7-ylcarbonyl-piperazin-1-yl]propanoic acid

Systemtic Name: 3-[3-(4-carbamimidoylphenyl)-4-imidazo[1,2-a]pyridin-7-ylcarbonyl-piperazin-1-yl]propanoic acid Openeye Name: 3-[3-(4-carbamimidoylphenyl)-4-(imidazo[1,2-a]pyridine-7-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[3-(4-carbamimidoylphenyl)-4-[7-imidazo[1,2-a]pyridinyl(oxo)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[3-(4-carbamimidoylphenyl)-4-(imidazo[1,2-a]pyridine-7-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[3-(4-amidinophenyl)-4-(imidazo[1,2-a]pyridine-7-carbonyl)piperazino]propionic acid Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CCC(=O)O)C2=CC=C(C=C2)C(=N)N)C(=O)C3=CC4=NC=CN4C=C3

Isomeric SMILES

C1CN(C(CN1CCC(=O)O)C2=CC=C(C=C2)C(=N)N)C(=O)C3=CC4=NC=CN4C=C3

InChI

InChI=1S/C22H24N6O3/c23-21(24)16-3-1-15(2-4-16)18-14-26(8-6-20(29)30)11-12-28(18)22(31)17-5-9-27-10-7-25-19(27)13-17/h1-5,7,9-10,13,18H,6,8,11-12,14H2,(H3,23,24)(H,29,30)