6-aminocarbonyl-5-(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)-2-methyl-1-(phenylmethyl)benzimidazole-4-carboxylic acid

Systemtic Name: 6-aminocarbonyl-5-(1-azanyl-2,3-dimethyl-1-oxidanylidene-butan-2-yl)-2-methyl-1-(phenylmethyl)benzimidazole-4-carboxylic acid Openeye Name: 1-benzyl-6-carbamoyl-5-(1-carbamoyl-1,2-dimethyl-propyl)-2-methyl-benzimidazole-4-carboxylic acid CAS Name: 5-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-6-carbamoyl-2-methyl-1-(phenylmethyl)-4-benzimidazolecarboxylic acid IUPAC Name: 5-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-1-benzyl-6-carbamoyl-2-methylbenzimidazole-4-carboxylic acid Traditional Name: 1-benzyl-6-carbamoyl-5-(1-carbamoyl-1,2-dimethyl-propyl)-2-methyl-benzimidazole-4-carboxylic acid Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C=C(C(=C2C(=O)O)C(C)(C(C)C)C(=O)N)C(=O)N

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C=C(C(=C2C(=O)O)C(C)(C(C)C)C(=O)N)C(=O)N

InChI

InChI=1S/C23H26N4O4/c1-12(2)23(4,22(25)31)18-15(20(24)28)10-16-19(17(18)21(29)30)26-13(3)27(16)11-14-8-6-5-7-9-14/h5-10,12H,11H2,1-4H3,(H2,24,28)(H2,25,31)(H,29,30)