[2-(tert-butylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfonyl-butanoate CAS Name: (2S)-2-benzamido-4-methylsulfonylbutanoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] (2S)-2-benzamido-4-methylsulfonylbutanoate Traditional Name: (2S)-2-benzamido-4-mesyl-butyric acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O6S/c1-18(2,3)20-15(21)12-26-17(23)14(10-11-27(4,24)25)19-16(22)13-8-6-5-7-9-13/h5-9,14H,10-12H2,1-4H3,(H,19,22)(H,20,21)/t14-/m0/s1