methyl 3-[[1-(3-azanyl-3-oxidanylidene-propyl)-2-(4-carbamimidoylphenyl)benzimidazol-5-yl]carbonylamino]propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCC(=O)N

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCC(=O)N

InChI

InChI=1S/C22H24N6O4/c1-32-19(30)8-10-26-22(31)15-6-7-17-16(12-15)27-21(28(17)11-9-18(23)29)14-4-2-13(3-5-14)20(24)25/h2-7,12H,8-11H2,1H3,(H2,23,29)(H3,24,25)(H,26,31)