2-[3-[[5-carbamimidoyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[5-carbamimidoyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[3-[(5-carbamimidoyl-1-isopentyl-benzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]acetic acid CAS Name: 2-[3-[[5-carbamimidoyl-1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]acetic acid IUPAC Name: 2-[3-[[5-carbamimidoyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]acetic acid Traditional Name: 2-[3-[(5-amidino-1-isoamyl-benzimidazol-2-yl)methyl]-2-keto-benzimidazol-1-yl]acetic acid Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)C(=N)N)N=C1CN3C4=CC=CC=C4N(C3=O)CC(=O)O

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)C(=N)N)N=C1CN3C4=CC=CC=C4N(C3=O)CC(=O)O

InChI

InChI=1S/C23H26N6O3/c1-14(2)9-10-27-17-8-7-15(22(24)25)11-16(17)26-20(27)12-28-18-5-3-4-6-19(18)29(23(28)32)13-21(30)31/h3-8,11,14H,9-10,12-13H2,1-2H3,(H3,24,25)(H,30,31)