3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]-2,2-dimethyl-propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]-2,2-dimethyl-propanoic acid CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]-2,2-dimethylpropanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]-2,2-dimethylpropanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]-2,2-dimethyl-propionic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-21(2,20(28)29)11-24-19(27)14-8-9-16-15(10-14)25-18(26(16)3)13-6-4-12(5-7-13)17(22)23/h4-10H,11H2,1-3H3,(H3,22,23)(H,24,27)(H,28,29)