grazoprevir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 16
Total Number of Articles : 21
PubChem 44603531
Molecular Formula

C38H50N6O9S

SMILES

CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@@]3(C[C@H]3C=C)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=C(C=CC(=C6)OC)N=C5CCCCC[C@@H]7C[C@H]7OC(=O)N1

InChI

InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1

synonyms
  • Grazoprevir
  • 1350514-68-9
  • MK-5172
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Properties
Property Value
MW 766.9 g/mol
HBD 3
HBA 11
Rotatable Bond Count 8
Exact Mass 766.33599837 g/mol
Monoisotopic Mass 766.33599837 g/mol
Heavy Atom Count 54
Isotope Atom Count 0
Atom Stereo Count 7
Covalent Unit Count 1
Complexity 1580
xlogp 4.7
Topological Polar Surface Area 204