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

Systemtic Name: 2-[3-(4-methylphenyl)sulfonyloxyphenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-2-[3-(p-tolylsulfonyloxy)phenyl]propanoic acid CAS Name: 2-[3-(4-methylphenyl)sulfonyloxyphenyl]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 2-[3-(4-methylphenyl)sulfonyloxyphenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-2-(3-tosyloxyphenyl)propionic acid Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO7S/c1-14-8-10-17(11-9-14)30(26,27)29-16-7-5-6-15(12-16)18(19(23)24)13-22-20(25)28-21(2,3)4/h5-12,18H,13H2,1-4H3,(H,22,25)(H,23,24)