Nelfinavir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 176
Total Number of Articles : 219
PubChem 64143
Molecular Formula

C32H45N3O4S

SMILES

CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O

InChI

InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1

synonyms
  • nelfinavir
  • 159989-64-7
  • Viracept
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Properties
Property Value
MW 567.8 g/mol
HBD 4
HBA 6
Rotatable Bond Count 10
Exact Mass 567.31307810 g/mol
Monoisotopic Mass 567.31307810 g/mol
Heavy Atom Count 40
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 830
xlogp 5.7
Topological Polar Surface Area 127