[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(pyridin-3-ylsulfonylamino)propanoate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(pyridin-3-ylsulfonylamino)propanoate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(3-pyridylsulfonylamino)propanoate CAS Name: 3-(3-pyridinylsulfonylamino)propanoic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-(pyridin-3-ylsulfonylamino)propanoate Traditional Name: 3-(3-pyridylsulfonylamino)propionic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H24N4O6S MolecularWeight: 400.44996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CCNS(=O)(=O)C1=CN=CC=C1

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CCNS(=O)(=O)C1=CN=CC=C1

InChI

InChI=1S/C16H24N4O6S/c1-11(14(22)19-15(23)20-16(2,3)4)26-13(21)7-9-18-27(24,25)12-6-5-8-17-10-12/h5-6,8,10-11,18H,7,9H2,1-4H3,(H2,19,20,22,23)