ethyl 3-[[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate

Systemtic Name: ethyl 3-[[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-1-methyl-benzimidazol-5-yl]carbonyl-pyridin-2-yl-amino]propanoate Openeye Name: ethyl 3-[[2-[[(5-carbamimidoyl-2-pyridyl)amino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propanoate CAS Name: 3-[[[2-[[(5-carbamimidoyl-2-pyridinyl)amino]methyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-(2-pyridinyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[[(5-carbamimidoylpyridin-2-yl)amino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate Traditional Name: 3-[[2-[[(5-amidino-2-pyridyl)amino]methyl]-1-methyl-benzimidazole-5-carbonyl]-(2-pyridyl)amino]propionic acid ethyl ester Formula: C26H28N8O3 MolecularWeight: 500.55232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=NC=C(C=C4)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=NC=C(C=C4)C(=N)N)C

InChI

InChI=1S/C26H28N8O3/c1-3-37-24(35)11-13-34(22-6-4-5-12-29-22)26(36)17-7-9-20-19(14-17)32-23(33(20)2)16-31-21-10-8-18(15-30-21)25(27)28/h4-10,12,14-15H,3,11,13,16H2,1-2H3,(H3,27,28)(H,30,31)