Saquinavir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 164
Total Number of Articles : 237
PubChem 441243
Molecular Formula

C38H50N6O5

SMILES

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1

synonyms
  • SAQUINAVIR
  • 127779-20-8
  • Invirase
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Properties
Property Value
MW 670.8 g/mol
HBD 5
HBA 7
Rotatable Bond Count 13
Exact Mass 670.38426872 g/mol
Monoisotopic Mass 670.38426872 g/mol
Heavy Atom Count 49
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1140
xlogp 4.2
Topological Polar Surface Area 167