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

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-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-bromobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-4-(methylthio)butyric acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C15H19BrN2O4S MolecularWeight: 403.29136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C(CCSC)NC(=O)C1=CC=CC=C1Br

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)[C@H](CCSC)NC(=O)C1=CC=CC=C1Br

InChI

InChI=1S/C15H19BrN2O4S/c1-9(13(17)19)22-15(21)12(7-8-23-2)18-14(20)10-5-3-4-6-11(10)16/h3-6,9,12H,7-8H2,1-2H3,(H2,17,19)(H,18,20)/t9-,12+/m1/s1