(2S)-2-[(3-bromanyl-4-fluoranyl-phenyl)methylcarbamoylamino]pentanoate

Systemtic Name: (2S)-2-[(3-bromanyl-4-fluoranyl-phenyl)methylcarbamoylamino]pentanoate Openeye Name: (2S)-2-[(3-bromo-4-fluoro-phenyl)methylcarbamoylamino]pentanoate CAS Name: (2S)-2-[[[(3-bromo-4-fluorophenyl)methylamino]-oxomethyl]amino]pentanoate IUPAC Name: (2S)-2-[(3-bromo-4-fluorophenyl)methylcarbamoylamino]pentanoate Traditional Name: (2S)-2-[(3-bromo-4-fluoro-benzyl)carbamoylamino]valerate Formula: C13H15BrFN2O3- MolecularWeight: 346.172203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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