methyl (2S)-2-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[2-[(5-bromanylfuran-2-yl)carbonylamino]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[(5-bromo-2-furoyl)amino]acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C13H17BrN2O5S MolecularWeight: 393.25348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)C1=CC=C(O1)Br

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CNC(=O)C1=CC=C(O1)Br

InChI

InChI=1S/C13H17BrN2O5S/c1-20-13(19)8(5-6-22-2)16-11(17)7-15-12(18)9-3-4-10(14)21-9/h3-4,8H,5-7H2,1-2H3,(H,15,18)(H,16,17)/t8-/m0/s1