2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[(4-bromo-2-fluorophenyl)methylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-bromo-2-fluoro-benzyl)carbamoylamino]-4-(methylthio)butyric acid Formula: C13H16BrFN2O3S MolecularWeight: 379.245143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NCC1=C(C=C(C=C1)Br)F

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NCC1=C(C=C(C=C1)Br)F

InChI

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