[(1S)-1-(3-nitrophenyl)ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [(1S)-1-(3-nitrophenyl)ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [(1S)-1-(3-nitrophenyl)ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [(1S)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1S)-1-(3-nitrophenyl)ethyl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [(1S)-1-(3-nitrophenyl)ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-14(16-9-6-10-17(13-16)22(25)26)27-20(24)18(11-12-28-2)21-19(23)15-7-4-3-5-8-15/h3-10,13-14,18H,11-12H2,1-2H3,(H,21,23)/t14-,18-/m0/s1