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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-4-mesyl-2-(m-toluoylamino)butyric acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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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)NCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6S/c1-13(2)11-20-17(22)12-27-19(24)16(8-9-28(4,25)26)21-18(23)15-7-5-6-14(3)10-15/h5-7,10,13,16H,8-9,11-12H2,1-4H3,(H,20,22)(H,21,23)/t16-/m0/s1