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

Systemtic Name: (2S)-5-azanyl-2-[(2-bromanyl-5-fluoranyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoate Openeye Name: (2S)-5-amino-2-[(2-bromo-5-fluoro-benzoyl)amino]-5-oxo-pentanoate CAS Name: (2S)-5-amino-2-[[(2-bromo-5-fluorophenyl)-oxomethyl]amino]-5-oxopentanoate IUPAC Name: (2S)-5-amino-2-[(2-bromo-5-fluorobenzoyl)amino]-5-oxopentanoate Traditional Name: (2S)-5-amino-2-[(2-bromo-5-fluoro-benzoyl)amino]-5-keto-valerate Formula: C12H11BrFN2O4- MolecularWeight: 346.129143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)C(=O)NC(CCC(=O)N)C(=O)[O-])Br

Isomeric SMILES

C1=CC(=C(C=C1F)C(=O)N[C@@H](CCC(=O)N)C(=O)[O-])Br

InChI

InChI=1S/C12H12BrFN2O4/c13-8-2-1-6(14)5-7(8)11(18)16-9(12(19)20)3-4-10(15)17/h1-2,5,9H,3-4H2,(H2,15,17)(H,16,18)(H,19,20)/p-1/t9-/m0/s1