U 81749

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 72232
Molecular Formula

C33H56N4O4

SMILES

CCC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C(CC(C(CC2CCCCC2)NC(=O)CC(C)(C)C)O)C(C)C

InChI

InChI=1S/C33H56N4O4/c1-8-23(4)30(32(41)35-21-25-16-12-13-17-34-25)37-31(40)26(22(2)3)19-28(38)27(18-24-14-10-9-11-15-24)36-29(39)20-33(5,6)7/h12-13,16-17,22-24,26-28,30,38H,8-11,14-15,18-21H2,1-7H3,(H,35,41)(H,36,39)(H,37,40)

synonyms
  • 126103-94-4
  • U 81749
  • 6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
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Properties
Property Value
MW 572.8 g/mol
HBD 4
HBA 5
Rotatable Bond Count 16
Exact Mass 572.43015628 g/mol
Monoisotopic Mass 572.43015628 g/mol
Heavy Atom Count 41
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 806
xlogp 6.2
Topological Polar Surface Area 120