(2S,4R)-2,4-dimethyl-5-oxidanylidene-5-phenylazanyl-pentanoate

Systemtic Name: (2S,4R)-2,4-dimethyl-5-oxidanylidene-5-phenylazanyl-pentanoate Openeye Name: (2S,4R)-5-anilino-2,4-dimethyl-5-oxo-pentanoate CAS Name: (2S,4R)-5-anilino-2,4-dimethyl-5-oxopentanoate IUPAC Name: (2S,4R)-5-anilino-2,4-dimethyl-5-oxopentanoate Traditional Name: (2S,4R)-5-anilino-5-keto-2,4-dimethyl-valerate Formula: C13H16NO3- MolecularWeight: 234.27104

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)C(=O)[O-])C(=O)NC1=CC=CC=C1

Isomeric SMILES

C[C@H](C[C@H](C)C(=O)[O-])C(=O)NC1=CC=CC=C1

InChI

InChI=1S/C13H17NO3/c1-9(8-10(2)13(16)17)12(15)14-11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t9-,10+/m1/s1