(phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)butanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-4-(4-nitrophenyl)butanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(4-nitrophenyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-nitrophenyl)butanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-(4-nitrophenyl)butyric acid benzyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O6/c1-22(2,3)30-21(26)23-19(20(25)29-15-17-7-5-4-6-8-17)14-11-16-9-12-18(13-10-16)24(27)28/h4-10,12-13,19H,11,14-15H2,1-3H3,(H,23,26)/t19-/m0/s1