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

Systemtic Name: (4-nitrophenyl)methyl (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: (4-nitrophenyl)methyl (2S)-2,4-bis(tert-butoxycarbonylamino)butanoate CAS Name: (2S)-2,4-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-2,4-bis(tert-butoxycarbonylamino)butyric acid (4-nitrobenzyl) ester Formula: C21H31N3O8 MolecularWeight: 453.48614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O8/c1-20(2,3)31-18(26)22-12-11-16(23-19(27)32-21(4,5)6)17(25)30-13-14-7-9-15(10-8-14)24(28)29/h7-10,16H,11-13H2,1-6H3,(H,22,26)(H,23,27)/t16-/m0/s1