ledipasvir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 22
Total Number of Articles : 27
PubChem 67505836
Molecular Formula

C49H54F2N8O6

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

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

synonyms
  • Ledipasvir
  • 1256388-51-8
  • GS-5885
Click to show/hide the synonyms
Properties
Property Value
MW 889.0 g/mol
HBD 4
HBA 10
Rotatable Bond Count 12
Exact Mass 888.41343780 g/mol
Monoisotopic Mass 888.41343780 g/mol
Heavy Atom Count 65
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1820
xlogp 7.4
Topological Polar Surface Area 175