(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfonyloxyphenyl)propanoate

Systemtic Name: (phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfonyloxyphenyl)propanoate Openeye Name: benzyl 2-(tert-butoxycarbonylamino)-3-(4-methylsulfonyloxyphenyl)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-methylsulfonyloxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-methylsulfonyloxyphenyl)propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(4-methylsulfonyloxyphenyl)propionic acid benzyl ester Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO7S/c1-22(2,3)29-21(25)23-19(20(24)28-15-17-8-6-5-7-9-17)14-16-10-12-18(13-11-16)30-31(4,26)27/h5-13,19H,14-15H2,1-4H3,(H,23,25)