Products 101312-92-9

CAS 101312-92-9 is the registry number for Valnemulin. Offered by: GLPBio, MedChemExpress. Available pack sizes: 25mg, 5mg, Get quote.

Valnemulin
GLPBio, MedChemExpress
  • size: 25mg, 5mg, Get quote
  • Variants: 3
from 1448.89
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Structural formula: {0} (CAS {1})

[(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 (CAS 101312-92-9) is a chemical compound with the molecular formula C31H52N2O5S and a molecular weight of 564.8 g/mol. IUPAC name: [(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. InChIKey: LLYYNOVSVPBRGV-MVNKZKPCSA-N.

Identity
Molecular formulaC31H52N2O5S
Molecular weight564.8 g/mol
IUPAC name[(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
InChIKeyLLYYNOVSVPBRGV-MVNKZKPCSA-N
SMILESC[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)[C@@H](C(C)C)N)C

Computed by PubChem (NCBI)

Synonyms: Valnemulin, valnemulina, valnemuline, valnemulinum, Econor, Valnemulin [INN:BAN], Econor (veterinary), VALNEMULIN [MI], VALNEMULIN [MART.], Tox21_112596
Related forms of this compound
[(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 C31H52N2O5S