3-[3-(4-methylphenyl)sulfonyloxyphenyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 4-(tert-butoxycarbonylamino)-3-[3-(p-tolylsulfonyloxy)phenyl]butanoic acid CAS Name: 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 4-(tert-butoxycarbonylamino)-3-(3-tosyloxyphenyl)butyric acid Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(CC(=O)O)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(CC(=O)O)CNC(=O)OC(C)(C)C

InChI

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