ethyl 5-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-(2-methylpropyl)amino]pentanoate

Systemtic Name: ethyl 5-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-(2-methylpropyl)amino]pentanoate Openeye Name: ethyl 5-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-isobutyl-amino]pentanoate CAS Name: 5-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]sulfonyl-(2-methylpropyl)amino]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonyl-(2-methylpropyl)amino]pentanoate Traditional Name: 5-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]sulfonyl-isobutyl-amino]valeric acid ethyl ester Formula: C27H37N5O4S MolecularWeight: 527.67878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CCOC(=O)CCCCN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C27H37N5O4S/c1-5-36-26(33)8-6-7-15-32(18-19(2)3)37(34,35)22-13-14-24-23(17-22)30-25(31(24)4)16-20-9-11-21(12-10-20)27(28)29/h9-14,17,19H,5-8,15-16,18H2,1-4H3,(H3,28,29)