telaprevir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 57
Total Number of Articles : 131
PubChem 3010818
Molecular Formula

C36H53N7O6

SMILES

CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)C5=NC=CN=C5

InChI

InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1

synonyms
  • Telaprevir
  • 402957-28-2
  • VX-950
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Properties
Property Value
MW 679.8 g/mol
HBD 4
HBA 8
Rotatable Bond Count 14
Exact Mass 679.40573244 g/mol
Monoisotopic Mass 679.40573244 g/mol
Heavy Atom Count 49
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1240
xlogp 4.2
Topological Polar Surface Area 180