3-[2-[[2-[(5-acetamido-2-tert-butyl-phenyl)amino]-2-oxidanylidene-ethanoyl]amino]propanoylamino]-2-oxidanylidene-butanoic acid

Systemtic Name: 3-[2-[[2-[(5-acetamido-2-tert-butyl-phenyl)amino]-2-oxidanylidene-ethanoyl]amino]propanoylamino]-2-oxidanylidene-butanoic acid Openeye Name: 3-[2-[[2-(5-acetamido-2-tert-butyl-anilino)-2-oxo-acetyl]amino]propanoylamino]-2-oxo-butanoic acid CAS Name: 3-[[2-[[2-(5-acetamido-2-tert-butylanilino)-1,2-dioxoethyl]amino]-1-oxopropyl]amino]-2-oxobutanoic acid IUPAC Name: 3-[2-[[2-(5-acetamido-2-tert-butylanilino)-2-oxoacetyl]amino]propanoylamino]-2-oxobutanoic acid Traditional Name: 3-[2-[[2-(5-acetamido-2-tert-butyl-anilino)-2-keto-acetyl]amino]propanoylamino]-2-keto-butyric acid Formula: C21H28N4O7 MolecularWeight: 448.46962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(=O)O)NC(=O)C(C)NC(=O)C(=O)NC1=C(C=CC(=C1)NC(=O)C)C(C)(C)C

Isomeric SMILES

CC(C(=O)C(=O)O)NC(=O)C(C)NC(=O)C(=O)NC1=C(C=CC(=C1)NC(=O)C)C(C)(C)C

InChI

InChI=1S/C21H28N4O7/c1-10(16(27)20(31)32)22-17(28)11(2)23-18(29)19(30)25-15-9-13(24-12(3)26)7-8-14(15)21(4,5)6/h7-11H,1-6H3,(H,22,28)(H,23,29)(H,24,26)(H,25,30)(H,31,32)