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

Systemtic Name: 2-[6-carbamimidoyl-2-[(4-carbamimidoylphenyl)methyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid Openeye Name: 2-[6-carbamimidoyl-2-[(4-carbamimidoylphenyl)methyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid CAS Name: 2-[6-carbamimidoyl-2-[(4-carbamimidoylphenyl)methyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid IUPAC Name: 2-[6-carbamimidoyl-2-[(4-carbamimidoylphenyl)methyl]-3-ethyl-2H-benzimidazol-1-yl]propanoic acid Traditional Name: 2-[6-amidino-2-(4-amidinobenzyl)-3-ethyl-2H-benzimidazol-1-yl]propionic acid Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(N(C2=C1C=CC(=C2)C(=N)N)C(C)C(=O)O)CC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCN1C(N(C2=C1C=CC(=C2)C(=N)N)C(C)C(=O)O)CC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H26N6O2/c1-3-26-16-9-8-15(20(24)25)11-17(16)27(12(2)21(28)29)18(26)10-13-4-6-14(7-5-13)19(22)23/h4-9,11-12,18H,3,10H2,1-2H3,(H3,22,23)(H3,24,25)(H,28,29)