tert-butyl (2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-nitrophenyl)carbonylamino]pentanoate

Systemtic Name: tert-butyl (2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-nitrophenyl)carbonylamino]pentanoate Openeye Name: tert-butyl (2S)-5-(tert-butoxycarbonylamino)-2-[(4-nitrobenzoyl)amino]pentanoate CAS Name: (2S)-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[[(4-nitrophenyl)-oxomethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(4-nitrobenzoyl)amino]pentanoate Traditional Name: (2S)-5-(tert-butoxycarbonylamino)-2-[(4-nitrobenzoyl)amino]valeric acid tert-butyl ester Formula: C21H31N3O7 MolecularWeight: 437.48674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O7/c1-20(2,3)30-18(26)16(8-7-13-22-19(27)31-21(4,5)6)23-17(25)14-9-11-15(12-10-14)24(28)29/h9-12,16H,7-8,13H2,1-6H3,(H,22,27)(H,23,25)/t16-/m0/s1