ethyl 4-(4-carbamimidoylphenyl)-2-[(4-carbamimidoylphenyl)methyl-(1-methylbenzimidazol-5-yl)oxycarbonyl-amino]butanoate

Systemtic Name: ethyl 4-(4-carbamimidoylphenyl)-2-[(4-carbamimidoylphenyl)methyl-(1-methylbenzimidazol-5-yl)oxycarbonyl-amino]butanoate Openeye Name: ethyl 4-(4-carbamimidoylphenyl)-2-[(4-carbamimidoylphenyl)methyl-(1-methylbenzimidazol-5-yl)oxycarbonyl-amino]butanoate CAS Name: 4-(4-carbamimidoylphenyl)-2-[(4-carbamimidoylphenyl)methyl-[(1-methyl-5-benzimidazolyl)oxy-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-(4-carbamimidoylphenyl)-2-[(4-carbamimidoylphenyl)methyl-(1-methylbenzimidazol-5-yl)oxycarbonylamino]butanoate Traditional Name: 2-[(4-amidinobenzyl)-(1-methylbenzimidazol-5-yl)oxycarbonyl-amino]-4-(4-amidinophenyl)butyric acid ethyl ester Formula: C30H33N7O4 MolecularWeight: 555.62752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=C(C=C1)C(=N)N)N(CC2=CC=C(C=C2)C(=N)N)C(=O)OC3=CC4=C(C=C3)N(C=N4)C

Isomeric SMILES

CCOC(=O)C(CCC1=CC=C(C=C1)C(=N)N)N(CC2=CC=C(C=C2)C(=N)N)C(=O)OC3=CC4=C(C=C3)N(C=N4)C

InChI

InChI=1S/C30H33N7O4/c1-3-40-29(38)26(14-8-19-4-9-21(10-5-19)27(31)32)37(17-20-6-11-22(12-7-20)28(33)34)30(39)41-23-13-15-25-24(16-23)35-18-36(25)2/h4-7,9-13,15-16,18,26H,3,8,14,17H2,1-2H3,(H3,31,32)(H3,33,34)