Ritonavir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 354
Total Number of Articles : 709
PubChem 392622
Molecular Formula

C37H48N6O5S2

SMILES

CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O

InChI

InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1

synonyms
  • ritonavir
  • 155213-67-5
  • Norvir
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Properties
Property Value
MW 720.9 g/mol
HBD 4
HBA 9
Rotatable Bond Count 18
Exact Mass 720.31276100 g/mol
Monoisotopic Mass 720.31276100 g/mol
Heavy Atom Count 50
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 1040
xlogp 6
Topological Polar Surface Area 202