(4-nitrophenyl)methyl (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: (4-nitrophenyl)methyl (2S)-2,4-bis(tert-butoxycarbonylamino)-4-oxo-butanoate CAS Name: (2S)-2,4-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (2S)-2,4-bis(tert-butoxycarbonylamino)-4-keto-butyric acid (4-nitrobenzyl) ester Formula: C21H29N3O9 MolecularWeight: 467.46966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O9/c1-20(2,3)32-18(27)22-15(11-16(25)23-19(28)33-21(4,5)6)17(26)31-12-13-7-9-14(10-8-13)24(29)30/h7-10,15H,11-12H2,1-6H3,(H,22,27)(H,23,25,28)/t15-/m0/s1