3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]-4-[[3-(4-methoxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]-4-[[3-(4-methoxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]-4-[[2-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]-4-[[1-hydroxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]-4-[[1-hydroxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]-4-[(2-hydroxy-2-keto-1-p-anisyl-ethyl)amino]-4-keto-butyric acid Formula: C30H30N6O7 MolecularWeight: 586.5952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=C(C=C3)OC)C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=C(C=C3)OC)C(=O)O)N=C1C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C30H30N6O7/c1-36-24-12-9-19(14-21(24)33-27(36)18-7-5-17(6-8-18)26(31)32)28(39)34-22(15-25(37)38)29(40)35-23(30(41)42)13-16-3-10-20(43-2)11-4-16/h3-12,14,22-23H,13,15H2,1-2H3,(H3,31,32)(H,34,39)(H,35,40)(H,37,38)(H,41,42)