[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O6/c1-9(2)17-14(20)11(4)25-16(22)10(3)18-15(21)12-6-5-7-13(8-12)19(23)24/h5-11H,1-4H3,(H,17,20)(H,18,21)/t10-,11-/m0/s1