(2S)-2-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[(5-bromo-2-fluoro-benzoyl)amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(5-bromo-2-fluorophenyl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[(5-bromo-2-fluorobenzoyl)amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[(5-bromo-2-fluoro-benzoyl)amino]-4-methyl-valeric acid Formula: C13H15BrFNO3 MolecularWeight: 332.165503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrFNO3/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)/t11-/m0/s1