(phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-nitrophenyl)pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-nitrophenyl)pentanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-5-(4-nitrophenyl)pentanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(4-nitrophenyl)pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-nitrophenyl)pentanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(4-nitrophenyl)valeric acid benzyl ester Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O6/c1-23(2,3)31-22(27)24-20(21(26)30-16-18-8-5-4-6-9-18)11-7-10-17-12-14-19(15-13-17)25(28)29/h4-6,8-9,12-15,20H,7,10-11,16H2,1-3H3,(H,24,27)/t20-/m0/s1