[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-4-mesyl-2-(m-toluoylamino)butyric acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)OC(C)C(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)O[C@@H](C)C(=O)N

InChI

InChI=1S/C16H22N2O6S/c1-10-5-4-6-12(9-10)15(20)18-13(7-8-25(3,22)23)16(21)24-11(2)14(17)19/h4-6,9,11,13H,7-8H2,1-3H3,(H2,17,19)(H,18,20)/t11-,13-/m0/s1