[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O6S/c1-11(17(24)27-12(2)16(23)20-18(4,5)6)21-28(25,26)15-9-7-14(8-10-15)19-13(3)22/h7-12,21H,1-6H3,(H,19,22)(H,20,23)/t11-,12+/m0/s1