Products 228266-41-9

CAS 228266-41-9 appears in our catalog under these names: Taltobulin (trifluoroacetate), 99.08%, Taltobulin trifluoroacetate, 99.96%. Offered by: MedChemExpress, Chemat. Available pack sizes: 5 mg, 10 mg, 10mM/1mL, 5mg, 10mg.

Structural formula: {0} (CAS {1})

(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;2,2,2-trifluoroacetic acid (CAS 228266-41-9) is a chemical compound with the molecular formula C29H44F3N3O6 and a molecular weight of 587.7 g/mol. IUPAC name: (E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;2,2,2-trifluoroacetic acid. InChIKey: SHWPCKJNFBDPFA-LPWSJWOVSA-N.

Identity
Molecular formulaC29H44F3N3O6
Molecular weight587.7 g/mol
IUPAC name(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2S)-3-methyl-2-(methylamino)-3-phenylbutanoyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid;2,2,2-trifluoroacetic acid
InChIKeySHWPCKJNFBDPFA-LPWSJWOVSA-N
SMILESCC(C)[C@@H](/C=C(\C)/C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C1=CC=CC=C1)NC.C(=O)(C(F)(F)F)O

Computed by PubChem (NCBI)