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

Systemtic Name: 3-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 3-[(tert-butoxycarbonylamino)methyl]-4-[4-(p-tolylsulfonyloxy)phenyl]butanoic acid CAS Name: 3-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 3-[(tert-butoxycarbonylamino)methyl]-4-(4-tosyloxyphenyl)butyric acid Formula: C23H29NO7S MolecularWeight: 463.54386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO7S/c1-16-5-11-20(12-6-16)32(28,29)31-19-9-7-17(8-10-19)13-18(14-21(25)26)15-24-22(27)30-23(2,3)4/h5-12,18H,13-15H2,1-4H3,(H,24,27)(H,25,26)