2-[3-(furan-3-ylcarbonylamino)propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[3-(furan-3-ylcarbonylamino)propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(furan-3-carbonylamino)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-[[3-furanyl(oxo)methyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(furan-3-carbonylamino)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(3-furoylamino)propanoylamino]-4-(methylthio)butyric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCNC(=O)C1=COC=C1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCNC(=O)C1=COC=C1

InChI

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