(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(4-nitrophenyl)methoxy]-2-oxidanylidene-ethoxy]amino]-3-methylsulfonyloxy-butanedioic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(4-nitrophenyl)methoxy]-2-oxidanylidene-ethoxy]amino]-3-methylsulfonyloxy-butanedioic acid Openeye Name: (2S)-2-[tert-butoxycarbonyl-[2-[(4-nitrophenyl)methoxy]-2-oxo-ethoxy]amino]-3-methylsulfonyloxy-butanedioic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-[2-[(4-nitrophenyl)methoxy]-2-oxoethoxy]amino]-3-methylsulfonyloxybutanedioic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(4-nitrophenyl)methoxy]-2-oxoethoxy]amino]-3-methylsulfonyloxybutanedioic acid Traditional Name: (2S)-2-[tert-butoxycarbonyl-[2-keto-2-(4-nitrobenzyl)oxy-ethoxy]amino]-3-methylsulfonyloxy-succinic acid Formula: C19H24N2O14S MolecularWeight: 536.46386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(C(C(=O)O)OS(=O)(=O)C)C(=O)O)OCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N([C@@H](C(C(=O)O)OS(=O)(=O)C)C(=O)O)OCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O14S/c1-19(2,3)34-18(27)20(14(16(23)24)15(17(25)26)35-36(4,30)31)33-10-13(22)32-9-11-5-7-12(8-6-11)21(28)29/h5-8,14-15H,9-10H2,1-4H3,(H,23,24)(H,25,26)/t14-,15?/m0/s1