(4-nitrophenyl)methyl 6-azanyl-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]hexanoate

Systemtic Name: (4-nitrophenyl)methyl 6-azanyl-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonyl-amino]hexanoate Openeye Name: (4-nitrophenyl)methyl 6-amino-2-[benzyloxycarbonyl(tert-butoxycarbonyl)amino]hexanoate CAS Name: 6-amino-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-phenylmethoxycarbonylamino]hexanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonyl-phenylmethoxycarbonylamino]hexanoate Traditional Name: 6-amino-2-[tert-butoxycarbonyl(carbobenzoxy)amino]hexanoic acid (4-nitrobenzyl) ester Formula: C26H33N3O8 MolecularWeight: 515.55552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(CCCCN)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(C(CCCCN)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H33N3O8/c1-26(2,3)37-25(32)28(24(31)36-18-19-9-5-4-6-10-19)22(11-7-8-16-27)23(30)35-17-20-12-14-21(15-13-20)29(33)34/h4-6,9-10,12-15,22H,7-8,11,16-18,27H2,1-3H3