[(1R)-1-cyanoethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-2-[(2-bromophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-4-(methylthio)butyric acid [(1R)-1-cyanoethyl] ester Formula: C15H17BrN2O3S MolecularWeight: 385.27608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O3S/c1-10(9-17)21-15(20)13(7-8-22-2)18-14(19)11-5-3-4-6-12(11)16/h3-6,10,13H,7-8H2,1-2H3,(H,18,19)/t10-,13+/m1/s1