[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C15H18ClN3O6S MolecularWeight: 403.83792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O6S/c1-8(13(17)20)25-15(22)12(5-6-26-2)18-14(21)10-4-3-9(19(23)24)7-11(10)16/h3-4,7-8,12H,5-6H2,1-2H3,(H2,17,20)(H,18,21)/t8-,12+/m1/s1