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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-22(2,3)30-21(26)23-18(20(25)29-15-16-9-5-4-6-10-16)14-13-17-11-7-8-12-19(17)24(27)28/h4-12,18H,13-15H2,1-3H3,(H,23,26)/t18-/m0/s1