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

Systemtic Name: (2S)-2-[[2,5-bis(fluoranyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[(2,5-difluorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2,5-difluorophenyl)-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[(2,5-difluorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2,5-difluorobenzoyl)amino]-3-methyl-butyrate Formula: C12H12F2NO3- MolecularWeight: 256.225386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO3/c1-6(2)10(12(17)18)15-11(16)8-5-7(13)3-4-9(8)14/h3-6,10H,1-2H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1