(2S,3S)-2-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-2-[(5-bromo-2-fluoro-benzoyl)amino]-3-hydroxy-butanoate CAS Name: (2S,3S)-2-[[(5-bromo-2-fluorophenyl)-oxomethyl]amino]-3-hydroxybutanoate IUPAC Name: (2S,3S)-2-[(5-bromo-2-fluorobenzoyl)amino]-3-hydroxybutanoate Traditional Name: (2S,3S)-2-[(5-bromo-2-fluoro-benzoyl)amino]-3-hydroxy-butyrate Formula: C11H10BrFNO4- MolecularWeight: 319.103803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11BrFNO4/c1-5(15)9(11(17)18)14-10(16)7-4-6(12)2-3-8(7)13/h2-5,9,15H,1H3,(H,14,16)(H,17,18)/p-1/t5-,9-/m0/s1