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

Systemtic Name: (2S)-2-[[2,5-bis(fluoranyl)phenyl]carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(2,5-difluorobenzoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2,5-difluorophenyl)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(2,5-difluorobenzoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(2,5-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=C(C=CC(=C1)F)F

Isomeric SMILES

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

InChI

InChI=1S/C13H15F2NO3/c1-7(2)5-11(13(18)19)16-12(17)9-6-8(14)3-4-10(9)15/h3-4,6-7,11H,5H2,1-2H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1