CID 477386

2-benzyl-5-[(5r)-5-benzyl-2-oxo-3-tetrahydrofuran-2-yl-pyrrolidin-1-yl]-4-hydroxy-n-[(1s,2r)-2-hydroxyindan-1-yl]pentanamide

Structural Information

Molecular Formula
C36H42N2O5
SMILES
C1CC(OC1)C2C[C@@H](N(C2=O)CC(CC(CC3=CC=CC=C3)C(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O)O)CC6=CC=CC=C6
InChI
InChI=1S/C36H42N2O5/c39-29(23-38-28(19-25-12-5-2-6-13-25)22-31(36(38)42)33-16-9-17-43-33)20-27(18-24-10-3-1-4-11-24)35(41)37-34-30-15-8-7-14-26(30)21-32(34)40/h1-8,10-15,27-29,31-34,39-40H,9,16-23H2,(H,37,41)/t27?,28-,29?,31?,32+,33?,34-/m0/s1
InChIKey
DPZSLVJCSAQXKB-IMJNNZOQSA-N
Compound name
2-benzyl-5-[(5R)-5-benzyl-2-oxo-3-(oxolan-2-yl)pyrrolidin-1-yl]-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

582.3094 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.31668 236.8
[M+Na]+ 605.29862 234.0
[M-H]- 581.30212 249.0
[M+NH4]+ 600.34322 240.3
[M+K]+ 621.27256 230.0
[M+H-H2O]+ 565.30666 228.4
[M+HCOO]- 627.30760 246.4
[M+CH3COO]- 641.32325 240.3
[M+Na-2H]- 603.28407 224.8
[M]+ 582.30885 232.6
[M]- 582.30995 232.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.