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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-hydroxyethyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-hydroxyethyl)benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-(2-hydroxyethyl)-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-(2-hydroxyethyl)benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-(2-hydroxyethyl)benzimidazole-5-carbonyl]amino]propionic acid Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2CCO)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2CCO)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C20H21N5O4/c21-18(22)12-1-3-13(4-2-12)19-24-15-11-14(20(29)23-8-7-17(27)28)5-6-16(15)25(19)9-10-26/h1-6,11,26H,7-10H2,(H3,21,22)(H,23,29)(H,27,28)