3-[[2-[[(5-carbamimidoylpyrazin-2-yl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoic acid

Systemtic Name: 3-[[2-[[(5-carbamimidoylpyrazin-2-yl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoic acid Openeye Name: 3-[[2-[[(5-carbamimidoylpyrazin-2-yl)amino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoic acid CAS Name: 3-[[[2-[[(5-carbamimidoyl-2-pyrazinyl)amino]methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid IUPAC Name: 3-[[2-[[(5-carbamimidoylpyrazin-2-yl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid Traditional Name: 3-[[2-[[(5-amidinopyrazin-2-yl)amino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid Formula: C23H23N9O3 MolecularWeight: 473.48722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=NC=C(N=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=NC=C(N=C4)C(=N)N

InChI

InChI=1S/C23H23N9O3/c1-31-17-6-5-14(23(35)32(9-7-21(33)34)19-4-2-3-8-26-19)10-15(17)30-20(31)13-29-18-12-27-16(11-28-18)22(24)25/h2-6,8,10-12H,7,9,13H2,1H3,(H3,24,25)(H,28,29)(H,33,34)