2-[6-carbamimidoyl-2-[2-(4-carbamimidoylphenyl)ethyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid

Systemtic Name: 2-[6-carbamimidoyl-2-[2-(4-carbamimidoylphenyl)ethyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid Openeye Name: 2-[6-carbamimidoyl-2-[2-(4-carbamimidoylphenyl)ethyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid CAS Name: 2-[6-carbamimidoyl-2-[2-(4-carbamimidoylphenyl)ethyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid IUPAC Name: 2-[6-carbamimidoyl-2-[2-(4-carbamimidoylphenyl)ethyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid Traditional Name: 2-[6-amidino-2-[2-(4-amidinophenyl)ethyl]-3-ethyl-2H-benzimidazol-1-yl]propionic acid Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(N(C2=C1C=CC(=C2)C(=N)N)C(C)C(=O)O)CCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCN1C(N(C2=C1C=CC(=C2)C(=N)N)C(C)C(=O)O)CCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H28N6O2/c1-3-27-17-10-9-16(21(25)26)12-18(17)28(13(2)22(29)30)19(27)11-6-14-4-7-15(8-5-14)20(23)24/h4-5,7-10,12-13,19H,3,6,11H2,1-2H3,(H3,23,24)(H3,25,26)(H,29,30)