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

Systemtic Name: 2-[2-(furan-2-ylcarbonylamino)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-(furan-2-carbonylamino)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-furanyl(oxo)methyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-(furan-2-carbonylamino)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-(2-furoylamino)propanoylamino]-4-(methylthio)butyric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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