[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O6S/c1-11(2)18-15(21)10-26-17(23)14(7-8-27-3)19-16(22)12-5-4-6-13(9-12)20(24)25/h4-6,9,11,14H,7-8,10H2,1-3H3,(H,18,21)(H,19,22)/t14-/m0/s1