methyl 3-[[6-acetamido-2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[6-acetamido-2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[6-acetamido-2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[6-acetamido-2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[6-acetamido-2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[6-acetamido-2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1C(=O)NCCC(=O)OC)N=C(N2C)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1C(=O)NCCC(=O)OC)N=C(N2C)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H24N6O4/c1-12(29)26-16-11-18-17(10-15(16)22(31)25-9-8-19(30)32-3)27-21(28(18)2)14-6-4-13(5-7-14)20(23)24/h4-7,10-11H,8-9H2,1-3H3,(H3,23,24)(H,25,31)(H,26,29)