Products 801283-95-4

CAS 801283-95-4 appears in our catalog under these names: Faldaprevir, Faldaprevir, 98+%, Faldaprevir (BI–201335), Faldaprevir, 98.58%, Faldaprevir-d7. Offered by: Chemat Brand, AmBeed, GLPBio, Biosynth, MedChemExpress. Available pack sizes: on request, 25mg, 10mg, 1mg, 5mg, 2mg, 1 mg.

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

Trans-(1R,2S)-1-[[(2S,4R)-4-[8-bromo-7-methoxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid (CAS 801283-95-4) is a chemical compound with the molecular formula C40H49BrN6O9S and a molecular weight of 869.8 g/mol. IUPAC name: trans-(1R,2S)-1-[[(2S,4R)-4-[8-bromo-7-methoxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid. InChIKey: LLGDPTDZOVKFDU-XUHJSTDZSA-N.

Identity
Molecular formulaC40H49BrN6O9S
Molecular weight869.8 g/mol
IUPAC nametrans-(1R,2S)-1-[[(2S,4R)-4-[8-bromo-7-methoxy-2-[2-(2-methylpropanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid
InChIKeyLLGDPTDZOVKFDU-XUHJSTDZSA-N
SMILESCC(C)C(=O)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Br)OC)C(=C2)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O

Computed by PubChem (NCBI)