3-[4-(4-methoxycarbonyl-2-methylsulfonyl-phenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[4-(4-methoxycarbonyl-2-methylsulfonyl-phenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[4-(4-methoxycarbonyl-2-methylsulfonyl-phenoxy)phenyl]propanoic acid CAS Name: 3-[4-(4-methoxycarbonyl-2-methylsulfonylphenoxy)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(4-methoxycarbonyl-2-methylsulfonylphenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-(4-carbomethoxy-2-mesyl-phenoxy)phenyl]propionic acid Formula: C23H27NO9S MolecularWeight: 493.52678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO9S/c1-23(2,3)33-22(28)24-17(20(25)26)12-14-6-9-16(10-7-14)32-18-11-8-15(21(27)31-4)13-19(18)34(5,29)30/h6-11,13,17H,12H2,1-5H3,(H,24,28)(H,25,26)