5-[(2-methylpropan-2-yl)oxy]-4-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2-methylpropan-2-yl)oxy]-4-[[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-tert-butoxy-4-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[(2-methylpropan-2-yl)oxy]-4-[[[1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[(2-methylpropan-2-yl)oxy]-4-[[1-(4-nitrophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-tert-butoxy-5-keto-4-[(1-nosylprolyl)amino]valeric acid Formula: C20H27N3O9S MolecularWeight: 485.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC(=O)O)NC(=O)C1CCCN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O9S/c1-20(2,3)32-19(27)15(10-11-17(24)25)21-18(26)16-5-4-12-22(16)33(30,31)14-8-6-13(7-9-14)23(28)29/h6-9,15-16H,4-5,10-12H2,1-3H3,(H,21,26)(H,24,25)