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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-methylsulfanylpropyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-methylsulfanylpropyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[3-(methylthio)propyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(3-methylsulfanylpropyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-[3-(methylthio)propyl]benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C23H27N5O3S MolecularWeight: 453.55718

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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)CCCSC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3S/c1-31-20(29)10-11-26-23(30)17-8-9-19-18(14-17)27-22(28(19)12-3-13-32-2)16-6-4-15(5-7-16)21(24)25/h4-9,14H,3,10-13H2,1-2H3,(H3,24,25)(H,26,30)