3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-[4-(phenylsulfonyloxy)phenyl]butanoic acid

Systemtic Name: 3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-[4-(phenylsulfonyloxy)phenyl]butanoic acid Openeye Name: 3-[[4-(benzenesulfonyloxy)phenyl]methyl]-4-(tert-butoxycarbonylamino)butanoic acid CAS Name: 3-[[4-(benzenesulfonyloxy)phenyl]methyl]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-[[4-(benzenesulfonyloxy)phenyl]methyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 3-(4-besyloxybenzyl)-4-(tert-butoxycarbonylamino)butyric acid Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C22H27NO7S/c1-22(2,3)29-21(26)23-15-17(14-20(24)25)13-16-9-11-18(12-10-16)30-31(27,28)19-7-5-4-6-8-19/h4-12,17H,13-15H2,1-3H3,(H,23,26)(H,24,25)