(4-nitrophenyl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (4-nitrophenyl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (4-nitrophenyl) (2S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid (4-nitrophenyl) ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C)[C@@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6/c1-3-14(2)18(21-20(24)27-13-15-7-5-4-6-8-15)19(23)28-17-11-9-16(10-12-17)22(25)26/h4-12,14,18H,3,13H2,1-2H3,(H,21,24)/t14?,18-/m0/s1