[(1R)-1-(3-nitrophenyl)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C

InChI

InChI=1S/C21H21N3O5/c1-13(15-6-5-7-17(10-15)24(27)28)29-21(26)20(23-14(2)25)11-16-12-22-19-9-4-3-8-18(16)19/h3-10,12-13,20,22H,11H2,1-2H3,(H,23,25)/t13-,20+/m1/s1