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Home Amines 1441674-54-9
1441674-54-9,MFCD28167732
Catalog No.:AA001IY7

1441674-54-9 | Carbamic acid, N-[(1S)-1-[[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-6-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]-, methyl ester, compd. with 2-propanone (1:1)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
98%(HPLC)
in stock  
$91.00   $64.00
- +
10mg
98%(HPLC)
in stock  
$167.00   $117.00
- +
25mg
98%(HPLC)
in stock  
$299.00   $209.00
- +
50mg
98%(HPLC)
in stock  
$477.00   $334.00
- +
100mg
98%(HPLC)
in stock  
$731.00   $512.00
- +
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Technical Information
Catalog Number:
AA001IY7
Chemical Name:
Carbamic acid, N-[(1S)-1-[[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-6-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]-, methyl ester, compd. with 2-propanone (1:1)
CAS Number:
1441674-54-9
Molecular Formula:
C52H60F2N8O7
Molecular Weight:
947.0790
MDL Number:
MFCD28167732
SMILES:
CC(=O)C.COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc([nH]1)c1ccc3c(c1)C(F)(F)c1c3ccc(c1)c1ccc3c(c1)[nH]c(n3)[C@@H]1[C@H]3CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C3)CC2)C(C)C
Properties
Computed Properties
 
Complexity:
1850  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
6  
Heavy Atom Count:
69  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
12  

Literature

Title: Link JO, et al. Discovery of ledipasvir (GS-5885): a potent, once-daily oral NS5A inhibitor for the treatment of hepatitis C virus infection. J Med Chem. 2014 Mar 13;57(5):2033-46.

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Tags:1441674-54-9 Molecular Formula|1441674-54-9 MDL|1441674-54-9 SMILES|1441674-54-9 Carbamic acid, N-[(1S)-1-[[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-azabicyclo[2.2.1]hept-3-yl]-1H-benzimidazol-6-yl]-9H-fluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]hept-5-yl]carbonyl]-2-methylpropyl]-, methyl ester, compd. with 2-propanone (1:1)