methyl 3-[[2-(5-carbamimidoylpyridin-2-yl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(5-carbamimidoylpyridin-2-yl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(5-carbamimidoyl-2-pyridyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(5-carbamimidoyl-2-pyridinyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(5-carbamimidoylpyridin-2-yl)-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(5-amidino-2-pyridyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C19H20N6O3 MolecularWeight: 380.4005

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=NC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCC(=O)OC)N=C1C3=NC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H20N6O3/c1-25-15-6-4-11(19(27)22-8-7-16(26)28-2)9-14(15)24-18(25)13-5-3-12(10-23-13)17(20)21/h3-6,9-10H,7-8H2,1-2H3,(H3,20,21)(H,22,27)