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

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (2R)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2R)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2R)-2-[(4-chlorobenzoyl)amino]-4-mesyl-butyric acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C15H19ClN2O6S MolecularWeight: 390.83916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C(CCS(=O)(=O)C)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

C[C@@H](C(=O)N)OC(=O)[C@@H](CCS(=O)(=O)C)NC(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C15H19ClN2O6S/c1-9(13(17)19)24-15(21)12(7-8-25(2,22)23)18-14(20)10-3-5-11(16)6-4-10/h3-6,9,12H,7-8H2,1-2H3,(H2,17,19)(H,18,20)/t9-,12+/m0/s1