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

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [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)NC(C)C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O6S/c1-11-7-9-14(10-8-11)28(25,26)21-12(2)16(23)27-13(3)15(22)19-17(24)20-18(4,5)6/h7-10,12-13,21H,1-6H3,(H2,19,20,22,24)/t12-,13?/m0/s1