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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]-4-mesyl-butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C17H23ClN2O6S MolecularWeight: 418.89232

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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=C1Cl

Isomeric SMILES

CC(C)NC(=O)COC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C17H23ClN2O6S/c1-11(2)19-15(21)10-26-17(23)14(8-9-27(3,24)25)20-16(22)12-6-4-5-7-13(12)18/h4-7,11,14H,8-10H2,1-3H3,(H,19,21)(H,20,22)/t14-/m0/s1