remikiren

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 9
Total Number of Articles : 28
PubChem 6324659
Molecular Formula

C33H50N4O6S

SMILES

CC(C)(C)S(=O)(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC3CCCCC3)[C@H]([C@H](C4CC4)O)O

InChI

InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1

synonyms
  • Remikiren
  • 126222-34-2
  • Ro 42-5892
Click to show/hide the synonyms
Properties
Property Value
MW 630.8 g/mol
HBD 5
HBA 7
Rotatable Bond Count 16
Exact Mass 630.34510650 g/mol
Monoisotopic Mass 630.34510650 g/mol
Heavy Atom Count 44
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 1030
xlogp 4
Topological Polar Surface Area 170