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

Systemtic Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-(phenylsulfonyloxy)phenyl]propanoic acid Openeye Name: 2-[4-(benzenesulfonyloxy)phenyl]-3-(tert-butoxycarbonylamino)propanoic acid CAS Name: 2-[4-(benzenesulfonyloxy)phenyl]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 2-[4-(benzenesulfonyloxy)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(4-besyloxyphenyl)-3-(tert-butoxycarbonylamino)propionic acid Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO7S/c1-20(2,3)27-19(24)21-13-17(18(22)23)14-9-11-15(12-10-14)28-29(25,26)16-7-5-4-6-8-16/h4-12,17H,13H2,1-3H3,(H,21,24)(H,22,23)