(2S)-N-(4-fluoranyl-3-oxidanylidene-1-phenyl-butan-2-yl)-4-methyl-2-[(phenylmethyl)carbamoylamino]pentanamide

Systemtic Name: (2S)-N-(4-fluoranyl-3-oxidanylidene-1-phenyl-butan-2-yl)-4-methyl-2-[(phenylmethyl)carbamoylamino]pentanamide Openeye Name: (2S)-2-(benzylcarbamoylamino)-N-(1-benzyl-3-fluoro-2-oxo-propyl)-4-methyl-pentanamide CAS Name: (2S)-N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-4-methyl-2-[[oxo-[(phenylmethyl)amino]methyl]amino]pentanamide IUPAC Name: (2S)-2-(benzylcarbamoylamino)-N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-4-methylpentanamide Traditional Name: (2S)-2-(benzylcarbamoylamino)-N-(1-benzyl-3-fluoro-2-keto-propyl)-4-methyl-valeramide Formula: C24H30FN3O3 MolecularWeight: 427.511703

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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)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC(CC1=CC=CC=C1)C(=O)CF)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C24H30FN3O3/c1-17(2)13-21(28-24(31)26-16-19-11-7-4-8-12-19)23(30)27-20(22(29)15-25)14-18-9-5-3-6-10-18/h3-12,17,20-21H,13-16H2,1-2H3,(H,27,30)(H2,26,28,31)/t20?,21-/m0/s1