(3R)-3-(4-tert-butylphenyl)-3-(2-phenylethanoylamino)propanoic acid

Systemtic Name: (3R)-3-(4-tert-butylphenyl)-3-(2-phenylethanoylamino)propanoic acid Openeye Name: (3R)-3-(4-tert-butylphenyl)-3-[(2-phenylacetyl)amino]propanoic acid CAS Name: (3R)-3-(4-tert-butylphenyl)-3-[(1-oxo-2-phenylethyl)amino]propanoic acid IUPAC Name: (3R)-3-(4-tert-butylphenyl)-3-[(2-phenylacetyl)amino]propanoic acid Traditional Name: (3R)-3-(4-tert-butylphenyl)-3-[(2-phenylacetyl)amino]propionic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](CC(=O)O)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3/c1-21(2,3)17-11-9-16(10-12-17)18(14-20(24)25)22-19(23)13-15-7-5-4-6-8-15/h4-12,18H,13-14H2,1-3H3,(H,22,23)(H,24,25)/t18-/m1/s1