2-[(3-bromanyl-4-fluoranyl-phenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-bromanyl-4-fluoranyl-phenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3-bromo-4-fluoro-phenyl)methylcarbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[(3-bromo-4-fluorophenyl)methylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3-bromo-4-fluorophenyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3-bromo-4-fluoro-benzyl)carbamoylamino]-4-(methylthio)butyric acid Formula: C13H16BrFN2O3S MolecularWeight: 379.245143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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