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

Systemtic Name: 3-[[1-[2-(cinnolin-4-ylcarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(cinnoline-4-carbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[4-cinnolinyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(cinnoline-4-carbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(cinnoline-4-carbonylamino)-3-methyl-butanoyl]prolyl]amino]-4-keto-butyric acid Formula: C23H27N5O6 MolecularWeight: 469.49038

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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=CN=NC3=CC=CC=C32

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CN=NC3=CC=CC=C32

InChI

InChI=1S/C23H27N5O6/c1-13(2)20(26-21(32)16-11-24-27-17-7-4-3-6-15(16)17)23(34)28-9-5-8-18(28)22(33)25-14(12-29)10-19(30)31/h3-4,6-7,11-14,18,20H,5,8-10H2,1-2H3,(H,25,33)(H,26,32)(H,30,31)