FR 139317

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 32
Total Number of Articles : 92
PubChem 107810
Molecular Formula

C33H44N6O5

SMILES

CC(C)C[C@@H](C(=O)N[C@H](CC1=CN(C2=CC=CC=C21)C)C(=O)N[C@H](CC3=CC=CC=N3)C(=O)O)NC(=O)N4CCCCCC4

InChI

InChI=1S/C33H44N6O5/c1-22(2)18-26(37-33(44)39-16-10-4-5-11-17-39)30(40)35-27(19-23-21-38(3)29-14-7-6-13-25(23)29)31(41)36-28(32(42)43)20-24-12-8-9-15-34-24/h6-9,12-15,21-22,26-28H,4-5,10-11,16-20H2,1-3H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t26-,27+,28+/m0/s1

synonyms
  • FR 139317
  • 142375-60-8
  • FR139317
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Properties
Property Value
MW 604.7 g/mol
HBD 4
HBA 6
Rotatable Bond Count 12
Exact Mass 604.33731853 g/mol
Monoisotopic Mass 604.33731853 g/mol
Heavy Atom Count 44
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 970
xlogp 3.8
Topological Polar Surface Area 146