(2S)-2-[(5-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(5-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(5-bromo-2-fluoro-phenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(5-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(5-bromo-2-fluorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(5-bromo-2-fluoro-benzyl)carbamoylamino]-4-(methylthio)butyrate Formula: C13H15BrFN2O3S- MolecularWeight: 378.237203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrFN2O3S/c1-21-5-4-11(12(18)19)17-13(20)16-7-8-6-9(14)2-3-10(8)15/h2-3,6,11H,4-5,7H2,1H3,(H,18,19)(H2,16,17,20)/p-1/t11-/m0/s1