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

Systemtic Name: 2-[[2-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-3-methyl-butyric acid Formula: C25H28N6O6 MolecularWeight: 508.52642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)C

InChI

InChI=1S/C25H28N6O6/c1-12(2)20(25(36)37)30-24(35)17(11-19(32)33)29-23(34)15-8-9-18-16(10-15)28-22(31(18)3)14-6-4-13(5-7-14)21(26)27/h4-10,12,17,20H,11H2,1-3H3,(H3,26,27)(H,29,34)(H,30,35)(H,32,33)(H,36,37)