3-[[2-(4-carbamimidoylphenyl)-1-(3-methylsulfanylphenyl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-methylsulfanylphenyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-methylsulfanylphenyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[3-(methylthio)phenyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(3-methylsulfanylphenyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-[3-(methylthio)phenyl]benzimidazole-5-carbonyl]amino]propionic acid Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CSC1=CC=CC(=C1)N2C3=C(C=C(C=C3)C(=O)NCCC(=O)O)N=C2C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H23N5O3S/c1-34-19-4-2-3-18(14-19)30-21-10-9-17(25(33)28-12-11-22(31)32)13-20(21)29-24(30)16-7-5-15(6-8-16)23(26)27/h2-10,13-14H,11-12H2,1H3,(H3,26,27)(H,28,33)(H,31,32)