[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H27N3O6S MolecularWeight: 413.48848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C18H27N3O6S/c1-12-6-8-14(9-7-12)28(25,26)19-11-10-15(22)27-13(2)16(23)20-17(24)21-18(3,4)5/h6-9,13,19H,10-11H2,1-5H3,(H2,20,21,23,24)/t13-/m1/s1