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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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