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

Systemtic Name: (2S)-5-azanyl-2-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-[(4-bromo-2-fluoro-benzoyl)amino]-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-[[(4-bromo-2-fluorophenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-[(4-bromo-2-fluorobenzoyl)amino]-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-[(4-bromo-2-fluoro-benzoyl)amino]-5-keto-valeric acid Formula: C12H12BrFN2O4 MolecularWeight: 347.137083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrFN2O4/c13-6-1-2-7(8(14)5-6)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)/t9-/m0/s1