3-[[7-bromanyl-2-(4-carbamimidoylphenyl)-3H-benzimidazol-5-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[7-bromanyl-2-(4-carbamimidoylphenyl)-3H-benzimidazol-5-yl]carbonylamino]propanoic acid Openeye Name: 3-[[7-bromo-2-(4-carbamimidoylphenyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid CAS Name: 3-[[[7-bromo-2-(4-carbamimidoylphenyl)-3H-benzimidazol-5-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[7-bromo-2-(4-carbamimidoylphenyl)-3H-benzimidazole-5-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-7-bromo-3H-benzimidazole-5-carbonyl]amino]propionic acid Formula: C18H16BrN5O3 MolecularWeight: 430.25534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3Br)C(=O)NCCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3Br)C(=O)NCCC(=O)O)C(=N)N

InChI

InChI=1S/C18H16BrN5O3/c19-12-7-11(18(27)22-6-5-14(25)26)8-13-15(12)24-17(23-13)10-3-1-9(2-4-10)16(20)21/h1-4,7-8H,5-6H2,(H3,20,21)(H,22,27)(H,23,24)(H,25,26)