2-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[(5-bromo-2-furoyl)amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C12H15BrN2O5S MolecularWeight: 379.2269

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CNC(=O)C1=CC=C(O1)Br

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CNC(=O)C1=CC=C(O1)Br

InChI

InChI=1S/C12H15BrN2O5S/c1-21-5-4-7(12(18)19)15-10(16)6-14-11(17)8-2-3-9(13)20-8/h2-3,7H,4-6H2,1H3,(H,14,17)(H,15,16)(H,18,19)