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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-4-mesyl-2-(m-toluoylamino)butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O6S/c1-12(2)19-16(21)11-26-18(23)15(8-9-27(4,24)25)20-17(22)14-7-5-6-13(3)10-14/h5-7,10,12,15H,8-9,11H2,1-4H3,(H,19,21)(H,20,22)/t15-/m0/s1