[2-(methylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-4-mesyl-butyric acid [2-keto-2-(methylamino)ethyl] ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)OCC(=O)NC

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6S/c1-19(2,3)14-8-6-13(7-9-14)17(23)21-15(10-11-28(5,25)26)18(24)27-12-16(22)20-4/h6-9,15H,10-12H2,1-5H3,(H,20,22)(H,21,23)/t15-/m0/s1