Ledipasvir-[d16]

General Information
Catalog: BLP-004404
Molecular Formula: C49H38D16F2N8O6
Molecular Weight: 905.04
Related CAS: 1256388-51-8 (unlabelled)
Description Ledipasvir-[d16] is the labelled derivative of Ledipasvir. Ledipasvir is an inhibitor of hepatitis C virus (HCV) non-structural protein 5A (NS5A).
Synonyms 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]​-​carbamic Acid Methyl Ester-d16; Ledipasvir D16
IUPAC Name methyl N-[2,3,4,4,4-pentadeuterio-1-[(6S)-6-[5-[9,9-difluoro-7-[2-[(1R,3S,4S)-2-[(2S)-2,3,4,4,4-pentadeuterio-2-(methoxycarbonylamino)-3-(trideuteriomethyl)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]-1-oxo-3-(trideuteriomethyl)butan-2-yl]carbamate
Canonical SMILES CC(C)C(C(=O)N1CC2(CC2)CC1C3=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)C9C1CCC(C1)N9C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC
InChI InChI=1S/C49H54F2N8O6/c1-24(2)39(56-46(62)64-5)44(60)58-23-48(15-16-48)21-38(58)42-52-22-37(55-42)28-9-13-32-31-12-8-26(18-33(31)49(50,51)34(32)19-28)27-10-14-35-36(20-27)54-43(53-35)41-29-7-11-30(17-29)59(41)45(61)40(25(3)4)57-47(63)65-6/h8-10,12-14,18-20,22,24-25,29-30,38-41H,7,11,15-17,21,23H2,1-6H3,(H,52,55)(H,53,54)(H,56,62)(H,57,63)/t29-,30+,38-,39?,40-,41-/m0/s1/i1D3,2D3,3D3,4D3,24D,25D,39D,40D
InChI Key VRTWBAAJJOHBQU-GYIGCXGTSA-N
Purity 98% by CP

Related Products

Online Inquiry


  • Verification code

USA

UK

Share

Interested in our Service & Products?
Need detailed information?



Inquiry Basket