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

Systemtic Name: (2S,3S)-2-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]-3-methyl-pentanoic acid Openeye Name: (2S,3S)-2-[(5-bromo-2-fluoro-benzoyl)amino]-3-methyl-pentanoic acid CAS Name: (2S,3S)-2-[[(5-bromo-2-fluorophenyl)-oxomethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3S)-2-[(5-bromo-2-fluorobenzoyl)amino]-3-methylpentanoic acid Traditional Name: (2S,3S)-2-[(5-bromo-2-fluoro-benzoyl)amino]-3-methyl-valeric acid Formula: C13H15BrFNO3 MolecularWeight: 332.165503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrFNO3/c1-3-7(2)11(13(18)19)16-12(17)9-6-8(14)4-5-10(9)15/h4-7,11H,3H2,1-2H3,(H,16,17)(H,18,19)/t7-,11-/m0/s1