(2S)-2-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(3,5-difluorobenzoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(3,5-difluorophenyl)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(3,5-difluorobenzoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(3,5-difluorobenzoyl)amino]-4-methyl-valerate Formula: C13H14F2NO3- MolecularWeight: 270.251966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15F2NO3/c1-7(2)3-11(13(18)19)16-12(17)8-4-9(14)6-10(15)5-8/h4-7,11H,3H2,1-2H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1