3-[[1-[2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]ethyl]-2-(4-carbamimidoylphenyl)benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-[2-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]ethyl]-2-(4-carbamimidoylphenyl)benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-[2-(3,5-dichloro-4-hydroxy-phenyl)ethyl]benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-[2-(3,5-dichloro-4-hydroxyphenyl)ethyl]benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-[2-(3,5-dichloro-4-hydroxy-phenyl)ethyl]benzimidazole-5-carbonyl]amino]propionic acid Formula: C26H23Cl2N5O4 MolecularWeight: 540.39792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2CCC4=CC(=C(C(=C4)Cl)O)Cl)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2CCC4=CC(=C(C(=C4)Cl)O)Cl)C=CC(=C3)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C26H23Cl2N5O4/c27-18-11-14(12-19(28)23(18)36)8-10-33-21-6-5-17(26(37)31-9-7-22(34)35)13-20(21)32-25(33)16-3-1-15(2-4-16)24(29)30/h1-6,11-13,36H,7-10H2,(H3,29,30)(H,31,37)(H,34,35)