[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (2R)-2-benzamido-4-methylsulfonyl-butanoate

Systemtic Name: [(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] (2R)-2-benzamido-4-methylsulfonyl-butanoate Openeye Name: [(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] (2R)-2-benzamido-4-methylsulfonyl-butanoate CAS Name: (2R)-2-benzamido-4-methylsulfonylbutanoic acid [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-benzamido-4-methylsulfonylbutanoate Traditional Name: (2R)-2-benzamido-4-mesyl-butyric acid [(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C(CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)OC(=O)[C@@H](CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H24N2O6S/c1-12(16(21)19-14-8-9-14)26-18(23)15(10-11-27(2,24)25)20-17(22)13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,19,21)(H,20,22)/t12-,15+/m0/s1