rupintrivir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 10
Total Number of Articles : 7
PubChem 6440352
Molecular Formula

C31H39FN4O7

SMILES

CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC2=CC=C(C=C2)F)CC(=O)[C@H](C(C)C)NC(=O)C3=NOC(=C3)C

InChI

InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/b11-10+/t21-,22+,24+,28-/m0/s1

synonyms
  • Rupintrivir
  • 223537-30-2
  • ag7088
Click to show/hide the synonyms
Properties
Property Value
MW 598.7 g/mol
HBD 3
HBA 9
Rotatable Bond Count 16
Exact Mass 598.28027776 g/mol
Monoisotopic Mass 598.28027776 g/mol
Heavy Atom Count 43
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 1010
xlogp 3.1
Topological Polar Surface Area 157