(4-tert-butyl-2,6-dimethyl-phenyl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C26H35NO3 MolecularWeight: 409.561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C(C(C)C)NC(=O)CC2=CC=CC=C2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)[C@H](C(C)C)NC(=O)CC2=CC=CC=C2)C)C(C)(C)C

InChI

InChI=1S/C26H35NO3/c1-17(2)24(27-23(28)15-20-11-9-8-10-12-20)25(29)30-16-22-18(3)13-21(14-19(22)4)26(5,6)7/h8-14,17,24H,15-16H2,1-7H3,(H,27,28)/t24-/m0/s1