2-azanyl-3,3,3-tris(fluoranyl)-2-(4-methylsulfanylbutanoylamino)propanoic acid

Systemtic Name: 2-azanyl-3,3,3-tris(fluoranyl)-2-(4-methylsulfanylbutanoylamino)propanoic acid Openeye Name: 2-amino-3,3,3-trifluoro-2-(4-methylsulfanylbutanoylamino)propanoic acid CAS Name: 2-amino-3,3,3-trifluoro-2-[[4-(methylthio)-1-oxobutyl]amino]propanoic acid IUPAC Name: 2-amino-3,3,3-trifluoro-2-(4-methylsulfanylbutanoylamino)propanoic acid Traditional Name: 2-amino-3,3,3-trifluoro-2-[4-(methylthio)butanoylamino]propionic acid Formula: C8H13F3N2O3S MolecularWeight: 274.26063

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCC(=O)NC(C(=O)O)(C(F)(F)F)N

Isomeric SMILES

CSCCCC(=O)NC(C(=O)O)(C(F)(F)F)N

InChI

InChI=1S/C8H13F3N2O3S/c1-17-4-2-3-5(14)13-7(12,6(15)16)8(9,10)11/h2-4,12H2,1H3,(H,13,14)(H,15,16)