glecaprevir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 22
Total Number of Articles : 23
PubChem 66828839
Molecular Formula

C38H46F4N6O9S

SMILES

CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)NC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5OC/C=C/C(C6=NC7=CC=CC=C7N=C6O4)(F)F)C(C)(C)C

InChI

InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1

synonyms
  • Glecaprevir
  • ABT-493
  • 1365970-03-1
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Properties
Property Value
MW 838.9 g/mol
HBD 3
HBA 15
Rotatable Bond Count 7
Exact Mass 838.29831089 g/mol
Monoisotopic Mass 838.29831089 g/mol
Heavy Atom Count 58
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 1760
xlogp 4.6
Topological Polar Surface Area 204