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

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [(1S)-2-(ethylamino)-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-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-4-mesyl-2-(m-toluoylamino)butyric acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)C(CCS(=O)(=O)C)NC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O6S/c1-5-19-16(21)13(3)26-18(23)15(9-10-27(4,24)25)20-17(22)14-8-6-7-12(2)11-14/h6-8,11,13,15H,5,9-10H2,1-4H3,(H,19,21)(H,20,22)/t13-,15-/m0/s1