ombitasvir

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 8
Total Number of Articles : 10
PubChem 54767916
Molecular Formula

C50H67N7O8

SMILES

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)[C@@H]3CC[C@H](N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC

InChI

InChI=1S/C50H67N7O8/c1-30(2)42(53-48(62)64-8)46(60)55-28-10-12-40(55)44(58)51-35-20-14-32(15-21-35)38-26-27-39(57(38)37-24-18-34(19-25-37)50(5,6)7)33-16-22-36(23-17-33)52-45(59)41-13-11-29-56(41)47(61)43(31(3)4)54-49(63)65-9/h14-25,30-31,38-43H,10-13,26-29H2,1-9H3,(H,51,58)(H,52,59)(H,53,62)(H,54,63)/t38-,39-,40-,41-,42-,43-/m0/s1

synonyms
  • Ombitasvir
  • 1258226-87-7
  • ABT-267
Click to show/hide the synonyms
Properties
Property Value
MW 894.1 g/mol
HBD 4
HBA 9
Rotatable Bond Count 16
Exact Mass 893.50511212 g/mol
Monoisotopic Mass 893.50511212 g/mol
Heavy Atom Count 65
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1540
xlogp 7.9
Topological Polar Surface Area 179