(2S)-2-[(5-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]pentanoic acid

Systemtic Name: (2S)-2-[(5-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]pentanoic acid Openeye Name: (2S)-2-[(5-bromo-2-fluoro-phenyl)methylcarbamoylamino]pentanoic acid CAS Name: (2S)-2-[[[(5-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-2-[(5-bromo-2-fluorophenyl)methylcarbamoylamino]pentanoic acid Traditional Name: (2S)-2-[(5-bromo-2-fluoro-benzyl)carbamoylamino]valeric acid Formula: C13H16BrFN2O3 MolecularWeight: 347.180143

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)NCC1=C(C=CC(=C1)Br)F

Isomeric SMILES

CCC[C@@H](C(=O)O)NC(=O)NCC1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C13H16BrFN2O3/c1-2-3-11(12(18)19)17-13(20)16-7-8-6-9(14)4-5-10(8)15/h4-6,11H,2-3,7H2,1H3,(H,18,19)(H2,16,17,20)/t11-/m0/s1