[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (2S)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (2S)-4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)[C@H](CCSC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O6S/c1-11(16(22)19-13-6-7-13)27-18(24)15(8-9-28-2)20-17(23)12-4-3-5-14(10-12)21(25)26/h3-5,10-11,13,15H,6-9H2,1-2H3,(H,19,22)(H,20,23)/t11-,15+/m1/s1