(2R)-2-[(2R)-4-oxidanylidene-4-phenylazanyl-butan-2-yl]hexanoate

Systemtic Name: (2R)-2-[(2R)-4-oxidanylidene-4-phenylazanyl-butan-2-yl]hexanoate Openeye Name: (2R)-2-[(1R)-3-anilino-1-methyl-3-oxo-propyl]hexanoate CAS Name: (2R)-2-[(2R)-4-anilino-4-oxobutan-2-yl]hexanoate IUPAC Name: (2R)-2-[(2R)-4-anilino-4-oxobutan-2-yl]hexanoate Traditional Name: (2R)-2-[(1R)-3-anilino-3-keto-1-methyl-propyl]hexanoate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO3/c1-3-4-10-14(16(19)20)12(2)11-15(18)17-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,17,18)(H,19,20)/p-1/t12-,14-/m1/s1