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

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-hydroxyethyl)benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-hydroxyethyl)benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(2-hydroxyethyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-(2-hydroxyethyl)benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-(2-hydroxyethyl)benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-30-18(28)8-9-24-21(29)15-6-7-17-16(12-15)25-20(26(17)10-11-27)14-4-2-13(3-5-14)19(22)23/h2-7,12,27H,8-11H2,1H3,(H3,22,23)(H,24,29)