[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate CAS Name: (2S)-2-benzamido-4-methylsulfonylbutanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-benzamido-4-methylsulfonylbutanoate Traditional Name: (2S)-2-benzamido-4-mesyl-butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C(CCS(=O)(=O)C)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)NC(=O)COC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H24N2O6S/c1-12(2)18-15(20)11-25-17(22)14(9-10-26(3,23)24)19-16(21)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,18,20)(H,19,21)/t14-/m0/s1