(2R)-3-[4-(4-tert-butylphenyl)sulfonyloxyphenyl]-2-(carboxycarbonylamino)propanoic acid

Systemtic Name: (2R)-3-[4-(4-tert-butylphenyl)sulfonyloxyphenyl]-2-(carboxycarbonylamino)propanoic acid Openeye Name: (2R)-3-[4-(4-tert-butylphenyl)sulfonyloxyphenyl]-2-(oxaloamino)propanoic acid CAS Name: (2R)-3-[4-(4-tert-butylphenyl)sulfonyloxyphenyl]-2-(oxaloamino)propanoic acid IUPAC Name: (2R)-3-[4-(4-tert-butylphenyl)sulfonyloxyphenyl]-2-(oxaloamino)propanoic acid Traditional Name: (2R)-3-[4-(4-tert-butylphenyl)sulfonyloxyphenyl]-2-(oxaloamino)propionic acid Formula: C21H23NO8S MolecularWeight: 449.47422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C[C@H](C(=O)O)NC(=O)C(=O)O

InChI

InChI=1S/C21H23NO8S/c1-21(2,3)14-6-10-16(11-7-14)31(28,29)30-15-8-4-13(5-9-15)12-17(19(24)25)22-18(23)20(26)27/h4-11,17H,12H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)/t17-/m1/s1