2-[2-[furan-2-ylcarbonyl(methyl)amino]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[furan-2-ylcarbonyl(methyl)amino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-furanyl(oxo)methyl]-methylamino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[2-furoyl(methyl)amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CCSC)C(=O)O)C(=O)C1=CC=CO1

Isomeric SMILES

CN(CC(=O)NC(CCSC)C(=O)O)C(=O)C1=CC=CO1

InChI

InChI=1S/C13H18N2O5S/c1-15(12(17)10-4-3-6-20-10)8-11(16)14-9(13(18)19)5-7-21-2/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,16)(H,18,19)