Indinavir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 149
Total Number of Articles : 231
PubChem 5362440
Molecular Formula

C36H47N5O4

SMILES

CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=CN=CC=C5

InChI

InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1

synonyms
  • indinavir
  • 150378-17-9
  • Crixivan
Click to show/hide the synonyms
Properties
Property Value
MW 613.8 g/mol
HBD 4
HBA 7
Rotatable Bond Count 12
Exact Mass 613.36280500 g/mol
Monoisotopic Mass 613.36280500 g/mol
Heavy Atom Count 45
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 952
xlogp 2.8
Topological Polar Surface Area 118