Products 1217627-44-5

CAS 1217627-44-5 appears in our catalog under these names: Valnemulin Trifluoroacetic Acid Salt-d6, >95% (HPLC), Valnemulin trifluoroacetic acid salt-d6. Offered by: TRC, Biosynth. Available pack sizes: 0,25mg, 1mg, 5mg, 2mg.

Valnemulin Trifluoroacetic Acid Salt-d6, >95% (HPLC)
TRC
  • size: 0,25mg, 1mg, 5mg
  • Variants: 3
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Valnemulin trifluoroacetic acid salt-d6
Biosynth
  • size: 2mg, 1mg, 5mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

[(1S,2R,3S,4S,6R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-yl]sulfanylacetate (CAS 1217627-44-5) is a chemical compound with the molecular formula C31H52N2O5S and a molecular weight of 570.9 g/mol. IUPAC name: [(1S,2R,3S,4S,6R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-yl]sulfanylacetate. InChIKey: LLYYNOVSVPBRGV-ZYJNAGOASA-N.

Identity
Molecular formulaC31H52N2O5S
Molecular weight570.9 g/mol
IUPAC name[(1S,2R,3S,4S,6R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-yl]sulfanylacetate
InChIKeyLLYYNOVSVPBRGV-ZYJNAGOASA-N
SMILES[2H]C([2H])([2H])C(CNC(=O)[C@@H](C(C)C)N)(C([2H])([2H])[2H])SCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CCC(C1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C

Computed by PubChem (NCBI)

Synonyms: Valnemulin Trifluoroacetic Acid Salt-d6
Related forms of this compound
[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropan-2-yl]sulfanylacetate C31H52N2O5S