Atazanavir Sulfate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 166
Total Number of Articles : 219
PubChem 158550
Molecular Formula

C38H54N6O11S

SMILES

CC(C)(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H](CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC.OS(=O)(=O)O

InChI

InChI=1S/C38H52N6O7.H2O4S/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28;1-5(2,3)4/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47);(H2,1,2,3,4)/t29-,30-,31+,32+;/m0./s1

synonyms
  • Atazanavir sulfate
  • 229975-97-7
  • Reyataz
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Properties
Property Value
MW 802.9 g/mol
HBD 7
HBA 13
Rotatable Bond Count 18
Exact Mass 802.35712773 g/mol
Monoisotopic Mass 802.35712773 g/mol
Heavy Atom Count 56
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 2
Complexity 1190
xlogp None
Topological Polar Surface Area 254