5-azanyl-2-[(3-bromanyl-5-fluoranyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(3-bromanyl-5-fluoranyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(3-bromo-5-fluoro-benzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(3-bromo-5-fluorophenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(3-bromo-5-fluorobenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(3-bromo-5-fluoro-benzoyl)amino]-5-keto-valeric acid Formula: C12H12BrFN2O4 MolecularWeight: 347.137083

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1F)Br)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1F)Br)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C12H12BrFN2O4/c13-7-3-6(4-8(14)5-7)11(18)16-9(12(19)20)1-2-10(15)17/h3-5,9H,1-2H2,(H2,15,17)(H,16,18)(H,19,20)