tert-butyl 2-[3-[[5-carbamimidoyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[3-[[5-carbamimidoyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]ethanoate Openeye Name: tert-butyl 2-[3-[(5-carbamimidoyl-1-isopentyl-benzimidazol-2-yl)methyl]-2-oxo-benzimidazol-1-yl]acetate CAS Name: 2-[3-[[5-carbamimidoyl-1-(3-methylbutyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[[5-carbamimidoyl-1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]acetate Traditional Name: 2-[3-[(5-amidino-1-isoamyl-benzimidazol-2-yl)methyl]-2-keto-benzimidazol-1-yl]acetic acid tert-butyl ester Formula: C27H34N6O3 MolecularWeight: 490.59726

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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)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H34N6O3/c1-17(2)12-13-31-20-11-10-18(25(28)29)14-19(20)30-23(31)15-32-21-8-6-7-9-22(21)33(26(32)35)16-24(34)36-27(3,4)5/h6-11,14,17H,12-13,15-16H2,1-5H3,(H3,28,29)