(2S)-2-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[(5-bromo-2-fluoro-benzoyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(5-bromo-2-fluorophenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[(5-bromo-2-fluorobenzoyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[(5-bromo-2-fluoro-benzoyl)amino]-3-methyl-butyric acid Formula: C12H13BrFNO3 MolecularWeight: 318.138923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=C(C=CC(=C1)Br)F

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrFNO3/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)/t10-/m0/s1