[(1R)-1-(3-nitrophenyl)ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)CC2=CC=CC=C2

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5/c1-14(2)20(22-19(24)12-16-8-5-4-6-9-16)21(25)28-15(3)17-10-7-11-18(13-17)23(26)27/h4-11,13-15,20H,12H2,1-3H3,(H,22,24)/t15-,20+/m1/s1