[2-(tert-butylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C17H25N3O6S MolecularWeight: 399.4619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O6S/c1-11(16(23)26-10-15(22)19-17(3,4)5)20-27(24,25)14-8-6-13(7-9-14)18-12(2)21/h6-9,11,20H,10H2,1-5H3,(H,18,21)(H,19,22)/t11-/m0/s1