2-[2-(furan-2-ylcarbonylamino)ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(furan-2-ylcarbonylamino)ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(furan-2-carbonylamino)acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-furanyl(oxo)methyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(furan-2-carbonylamino)acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(2-furoylamino)acetyl]amino]-4-(methylthio)butyric acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CNC(=O)C1=CC=CO1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CNC(=O)C1=CC=CO1

InChI

InChI=1S/C12H16N2O5S/c1-20-6-4-8(12(17)18)14-10(15)7-13-11(16)9-3-2-5-19-9/h2-3,5,8H,4,6-7H2,1H3,(H,13,16)(H,14,15)(H,17,18)