(2S)-4-azanyl-2-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-azanyl-2-[(5-bromanyl-2-fluoranyl-phenyl)carbonylamino]-4-oxidanylidene-butanoate Openeye Name: (2S)-4-amino-2-[(5-bromo-2-fluoro-benzoyl)amino]-4-oxo-butanoate CAS Name: (2S)-4-amino-2-[[(5-bromo-2-fluorophenyl)-oxomethyl]amino]-4-oxobutanoate IUPAC Name: (2S)-4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]-4-oxobutanoate Traditional Name: (2S)-4-amino-2-[(5-bromo-2-fluoro-benzoyl)amino]-4-keto-butyrate Formula: C11H9BrFN2O4- MolecularWeight: 332.102563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)NC(CC(=O)N)C(=O)[O-])F

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)N[C@@H](CC(=O)N)C(=O)[O-])F

InChI

InChI=1S/C11H10BrFN2O4/c12-5-1-2-7(13)6(3-5)10(17)15-8(11(18)19)4-9(14)16/h1-3,8H,4H2,(H2,14,16)(H,15,17)(H,18,19)/p-1/t8-/m0/s1