3-oxidanylidenebutan-2-yl (2S)-2-azanyl-3-phenyl-propanoate

Systemtic Name: 3-oxidanylidenebutan-2-yl (2S)-2-azanyl-3-phenyl-propanoate Openeye Name: (1-methyl-2-oxo-propyl) (2S)-2-amino-3-phenyl-propanoate CAS Name: (2S)-2-amino-3-phenylpropanoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl (2S)-2-amino-3-phenylpropanoate Traditional Name: (2S)-2-amino-3-phenyl-propionic acid (2-keto-1-methyl-propyl) ester Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C(CC1=CC=CC=C1)N

Isomeric SMILES

CC(C(=O)C)OC(=O)[C@H](CC1=CC=CC=C1)N

InChI

InChI=1S/C13H17NO3/c1-9(15)10(2)17-13(16)12(14)8-11-6-4-3-5-7-11/h3-7,10,12H,8,14H2,1-2H3/t10?,12-/m0/s1