3-[[1-[2-(3H-benzimidazol-5-ylcarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[2-(3H-benzimidazol-5-ylcarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(3H-benzimidazole-5-carbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[3H-benzimidazol-5-yl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(3H-benzimidazole-5-carbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(3H-benzimidazole-5-carbonylamino)-3-methyl-butanoyl]prolyl]amino]-4-keto-butyric acid Formula: C22H27N5O6 MolecularWeight: 457.47968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C22H27N5O6/c1-12(2)19(26-20(31)13-5-6-15-16(8-13)24-11-23-15)22(33)27-7-3-4-17(27)21(32)25-14(10-28)9-18(29)30/h5-6,8,10-12,14,17,19H,3-4,7,9H2,1-2H3,(H,23,24)(H,25,32)(H,26,31)(H,29,30)