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

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-[(tert-butoxycarbonylamino)methyl]-3-[4-(p-tolylsulfonyloxy)phenyl]propanoic acid CAS Name: 2-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[4-(4-methylphenyl)sulfonyloxyphenyl]methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-[(tert-butoxycarbonylamino)methyl]-3-(4-tosyloxyphenyl)propionic 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=C(C=C2)CC(CNC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO7S/c1-15-5-11-19(12-6-15)31(27,28)30-18-9-7-16(8-10-18)13-17(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)