(2S)-N-(4-fluoranyl-3-oxidanylidene-1-phenyl-butan-2-yl)-4-methyl-2-(3-phenylpropanoylamino)pentanamide

Systemtic Name: (2S)-N-(4-fluoranyl-3-oxidanylidene-1-phenyl-butan-2-yl)-4-methyl-2-(3-phenylpropanoylamino)pentanamide Openeye Name: (2S)-N-(1-benzyl-3-fluoro-2-oxo-propyl)-4-methyl-2-(3-phenylpropanoylamino)pentanamide CAS Name: (2S)-N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-4-methyl-2-[(1-oxo-3-phenylpropyl)amino]pentanamide IUPAC Name: (2S)-N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-4-methyl-2-(3-phenylpropanoylamino)pentanamide Traditional Name: (2S)-N-(1-benzyl-3-fluoro-2-keto-propyl)-2-(hydrocinnamoylamino)-4-methyl-valeramide Formula: C25H31FN2O3 MolecularWeight: 426.523643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CF)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(CC1=CC=CC=C1)C(=O)CF)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C25H31FN2O3/c1-18(2)15-22(27-24(30)14-13-19-9-5-3-6-10-19)25(31)28-21(23(29)17-26)16-20-11-7-4-8-12-20/h3-12,18,21-22H,13-17H2,1-2H3,(H,27,30)(H,28,31)/t21?,22-/m0/s1