methyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-cyclopentyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-cyclopentyl-amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-cyclopentyl-amino]-4-oxo-butanoate CAS Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-cyclopentylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-cyclopentylamino]-4-oxobutanoate Traditional Name: 4-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-cyclopentyl-amino]-4-keto-butyric acid methyl ester Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C3CCCC3)C(=O)CCC(=O)OC)N=C1CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(C3CCCC3)C(=O)CCC(=O)OC)N=C1CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H31N5O3/c1-30-22-12-11-20(31(19-5-3-4-6-19)24(32)13-14-25(33)34-2)16-21(22)29-23(30)15-17-7-9-18(10-8-17)26(27)28/h7-12,16,19H,3-6,13-15H2,1-2H3,(H3,27,28)