(3,3-dimethyl-2-oxidanylidene-butyl) (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C(C)(C)C)NC(=O)CC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C(C)(C)C)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C19H27NO4/c1-13(2)17(18(23)24-12-15(21)19(3,4)5)20-16(22)11-14-9-7-6-8-10-14/h6-10,13,17H,11-12H2,1-5H3,(H,20,22)/t17-/m0/s1