Ledipasvir-d6

cas: 2050041-12-6 — see every product listed under this CAS number, including other names

Ledipasvir-d6 (CAS 2050041-12-6) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-L320102-25MG
cas2050041-12-6
size25mg
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Structural formula: {0} (CAS {1})

Trideuteriomethyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-3-methyl-2-(trideuteriomethoxycarbonylamino)butanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate (CAS 2050041-12-6) is a chemical compound with the molecular formula C49H54F2N8O6 and a molecular weight of 895.0 g/mol. IUPAC name: trideuteriomethyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-3-methyl-2-(trideuteriomethoxycarbonylamino)butanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate. InChIKey: VRTWBAAJJOHBQU-NEKIOSTPSA-N.

Identity
Molecular formulaC49H54F2N8O6
Molecular weight895.0 g/mol
IUPAC nametrideuteriomethyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-3-methyl-2-(trideuteriomethoxycarbonylamino)butanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate
InChIKeyVRTWBAAJJOHBQU-NEKIOSTPSA-N
SMILES[2H]C([2H])([2H])OC(=O)N[C@@H](C(C)C)C(=O)N1CC2(CC2)C[C@H]1C3=NC=C(N3)C4=CC5=C(C=C4)C6=C(C5(F)F)C=C(C=C6)C7=CC8=C(C=C7)N=C(N8)[C@@H]9[C@H]1CC[C@H](C1)N9C(=O)[C@H](C(C)C)NC(=O)OC([2H])([2H])[2H]

Computed by PubChem (NCBI)

Synonyms: Ledipasvir-d6, Ledipasvir D6, orb2280893, 1256388-51-8 (Unlabelled)
Related forms of this compound
methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate C49H54F2N8O6
methyl N-[(2S)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2R)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate C49H54F2N8O6
Isomers (same molecular formula)
[(2R)-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]-methylcarbamic acid C49H54F2N8O6

Also listed as

Ledipasvir–d6 GLPBio CAS 2050041-12-6
Ledipasvir-d6, 99%, 99% Chemat CAS 2050041-12-6
Ledipasvir-d6, 99.0% MedChemExpress CAS 2050041-12-6