(2S)-4-methyl-2-(4-phenylbutanoylamino)pentanoate

Systemtic Name: (2S)-4-methyl-2-(4-phenylbutanoylamino)pentanoate Openeye Name: (2S)-4-methyl-2-(4-phenylbutanoylamino)pentanoate CAS Name: (2S)-4-methyl-2-[(1-oxo-4-phenylbutyl)amino]pentanoate IUPAC Name: (2S)-4-methyl-2-(4-phenylbutanoylamino)pentanoate Traditional Name: (2S)-4-methyl-2-(4-phenylbutanoylamino)valerate Formula: C16H22NO3- MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)CCCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)CCCC1=CC=CC=C1

InChI

InChI=1S/C16H23NO3/c1-12(2)11-14(16(19)20)17-15(18)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,17,18)(H,19,20)/p-1/t14-/m0/s1