Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70917136

Structure

InChI Key BFMKOQRYRSHQGV-UHFFFAOYSA-N
Smiles O=C(OCC)C(C(=O)NCC1(C)CC(NC(=O)C(C(=O)OCC)C(=O)C)CC(C)(C)C1)C(=O)C
InChI
InChI=1/C24H38N2O8/c1-8-33-21(31)17(14(3)27)19(29)25-13-24(7)11-16(10-23(5,6)12-24)26-20(30)18(15(4)28)22(32)34-9-2/h16-18H,8-13H2,1-7H3,(H,25,29)(H,26,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H38N2O8
Molecular Weight 482.26
AlogP 3.02
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 151.92
Heavy Atoms 34.0

Cross References

Resources Reference
CAS NUMBER 93919-08-5
NORMAN SUSDAT
PubChem 3022913