(2R)-2-(carboxycarbonylamino)-3-[4-(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)oxyphenyl]propanoic acid

Systemtic Name: (2R)-2-(carboxycarbonylamino)-3-[4-(2-methyl-1-oxidanylidene-1-phenyl-propan-2-yl)oxyphenyl]propanoic acid Openeye Name: (2R)-3-[4-(1,1-dimethyl-2-oxo-2-phenyl-ethoxy)phenyl]-2-(oxaloamino)propanoic acid CAS Name: (2R)-3-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxyphenyl]-2-(oxaloamino)propanoic acid IUPAC Name: (2R)-3-[4-(2-methyl-1-oxo-1-phenylpropan-2-yl)oxyphenyl]-2-(oxaloamino)propanoic acid Traditional Name: (2R)-3-[4-(2-keto-1,1-dimethyl-2-phenyl-ethoxy)phenyl]-2-(oxaloamino)propionic acid Formula: C21H21NO7 MolecularWeight: 399.39394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7/c1-21(2,17(23)14-6-4-3-5-7-14)29-15-10-8-13(9-11-15)12-16(19(25)26)22-18(24)20(27)28/h3-11,16H,12H2,1-2H3,(H,22,24)(H,25,26)(H,27,28)/t16-/m1/s1