emodepside

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 133
Total Number of Articles : 156
PubChem 6918632
Molecular Formula

C60H90N6O14

SMILES

C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)CC2=CC=C(C=C2)N3CCOCC3)CC(C)C)C)C)CC(C)C)C)CC4=CC=C(C=C4)N5CCOCC5)CC(C)C)C

InChI

InChI=1S/C60H90N6O14/c1-37(2)31-47-57(71)77-41(9)53(67)61(11)50(34-40(7)8)60(74)80-52(36-44-17-21-46(22-18-44)66-25-29-76-30-26-66)56(70)64(14)48(32-38(3)4)58(72)78-42(10)54(68)62(12)49(33-39(5)6)59(73)79-51(55(69)63(47)13)35-43-15-19-45(20-16-43)65-23-27-75-28-24-65/h15-22,37-42,47-52H,23-36H2,1-14H3/t41-,42-,47+,48+,49+,50+,51-,52-/m1/s1

synonyms
  • Emodepside
  • 155030-63-0
  • emodepsida
Click to show/hide the synonyms
Properties
Property Value
MW 1119.4 g/mol
HBD 0
HBA 16
Rotatable Bond Count 14
Exact Mass 1118.65150157 g/mol
Monoisotopic Mass 1118.65150157 g/mol
Heavy Atom Count 80
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1900
xlogp 9
Topological Polar Surface Area 211