[2-(methylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-4-mesyl-2-(m-toluoylamino)butyric acid [2-keto-2-(methylamino)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)OCC(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6S/c1-11-5-4-6-12(9-11)15(20)18-13(7-8-25(3,22)23)16(21)24-10-14(19)17-2/h4-6,9,13H,7-8,10H2,1-3H3,(H,17,19)(H,18,20)/t13-/m0/s1