3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-propoxy-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-propoxy-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-propoxy-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-6-propoxy-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-6-propoxybenzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-6-propoxy-benzimidazole-5-carbonyl]amino]propionic acid Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1C(=O)NCCC(=O)O)N=C(N2C)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCOC1=CC2=C(C=C1C(=O)NCCC(=O)O)N=C(N2C)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H25N5O4/c1-3-10-31-18-12-17-16(11-15(18)22(30)25-9-8-19(28)29)26-21(27(17)2)14-6-4-13(5-7-14)20(23)24/h4-7,11-12H,3,8-10H2,1-2H3,(H3,23,24)(H,25,30)(H,28,29)