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Chemical structure of Ledipasvir diacetone

GC36436

Ledipasvir diacetone

Also known as 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;bis(propan-2-one)

Ledipasvir diacetone (GS-5885 diacetone) is the active ingredient of Ledipasvir

ChemicalCAS1502655-48-2MW1005.16FormulaC55H66F2N8O8
CAS number
1502655-48-2
Molecular weight
1005.16
Formula
C55H66F2N8O8
Solubility
Soluble in DMSO
InChIKey
LXKDKHCANHWUPC-YGWQTYEPSA-N
Catalogue number
GC36436
Brand
GLPBIO
Computed properties PubChem CID 92044391 · TPSA 209 Ų · H-bond donors 4 · H-bond acceptors 12
TPSA
209 Ų
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
12
Heavy atoms
73

SMILES CC(C)[C@@H](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)NC(=O)OC.CC(=O)C.CC(=O)C

Computed descriptors from PubChem (CID 92044391), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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