Structure

InChI Key FSYOHJCDYPCNSD-BOXHHOBZSA-N
Smile C[C@@H](CC(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1)N1CCOCC1.O=C(O)C(O)C(O)C(=O)O
InChI
InChI=1S/C25H32N2O2.C4H6O6/c1-21(26-16-18-29-19-17-26)20-25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27;5-1(3(7)8)2(6)4(9)10/h2-7,10-13,21H,8-9,14-20H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t21-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H38N2O8
Molecular Weight 542.63
AlogP 3.71
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 32.78
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3833311
FDA SRS J778U505W5
PubChem 92942