[(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [(2R)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [(1R)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [(1R)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO4/c1-17(2)23(27-22(28)16-19-10-8-7-9-11-19)25(30)31-18(3)24(29)20-12-14-21(15-13-20)26(4,5)6/h7-15,17-18,23H,16H2,1-6H3,(H,27,28)/t18-,23+/m1/s1