bis(phenylmethyl) 2-[[2-(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]butanedioate

Systemtic Name: bis(phenylmethyl) 2-[[2-(2-carbamimidoyl-4-phenylmethoxycarbonyl-phenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]butanedioate Openeye Name: dibenzyl 2-[[2-(4-benzyloxycarbonyl-2-carbamimidoyl-phenyl)-1-methyl-benzimidazole-5-carbonyl]amino]butanedioate CAS Name: 2-[[[2-(2-carbamimidoyl-4-phenylmethoxycarbonylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]butanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[[2-(2-carbamimidoyl-4-phenylmethoxycarbonylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]butanedioate Traditional Name: 2-[[2-(2-amidino-4-carbobenzoxy-phenyl)-1-methyl-benzimidazole-5-carbonyl]amino]succinic acid dibenzyl ester Formula: C42H37N5O7 MolecularWeight: 723.77248

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N=C1C5=C(C=C(C=C5)C(=O)OCC6=CC=CC=C6)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N=C1C5=C(C=C(C=C5)C(=O)OCC6=CC=CC=C6)C(=N)N

InChI

InChI=1S/C42H37N5O7/c1-47-36-20-18-30(22-34(36)45-39(47)32-19-17-31(21-33(32)38(43)44)41(50)53-25-28-13-7-3-8-14-28)40(49)46-35(42(51)54-26-29-15-9-4-10-16-29)23-37(48)52-24-27-11-5-2-6-12-27/h2-22,35H,23-26H2,1H3,(H3,43,44)(H,46,49)