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

Systemtic Name: 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[3-(phenylsulfonyloxy)phenyl]butanoic acid Openeye Name: 3-[3-(benzenesulfonyloxy)phenyl]-4-(tert-butoxycarbonylamino)butanoic acid CAS Name: 3-[3-(benzenesulfonyloxy)phenyl]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-[3-(benzenesulfonyloxy)phenyl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 3-(3-besyloxyphenyl)-4-(tert-butoxycarbonylamino)butyric acid Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO7S/c1-21(2,3)28-20(25)22-14-16(13-19(23)24)15-8-7-9-17(12-15)29-30(26,27)18-10-5-4-6-11-18/h4-12,16H,13-14H2,1-3H3,(H,22,25)(H,23,24)