3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methylsulfonyloxyphenyl)propanoic acid

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methylsulfonyloxyphenyl)propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-2-(4-methylsulfonyloxyphenyl)propanoic acid CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(4-methylsulfonyloxyphenyl)propanoic acid IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-methylsulfonyloxyphenyl)propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-2-(4-methylsulfonyloxyphenyl)propionic acid Formula: C15H21NO7S MolecularWeight: 359.39474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(C1=CC=C(C=C1)OS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC(C1=CC=C(C=C1)OS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C15H21NO7S/c1-15(2,3)22-14(19)16-9-12(13(17)18)10-5-7-11(8-6-10)23-24(4,20)21/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)