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

Systemtic Name: (4-nitrophenyl)methyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (4-nitrophenyl)methyl (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid (4-nitrobenzyl) ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O6/c1-3-15(2)19(22-21(25)29-14-16-7-5-4-6-8-16)20(24)28-13-17-9-11-18(12-10-17)23(26)27/h4-12,15,19H,3,13-14H2,1-2H3,(H,22,25)/t15-,19-/m0/s1