CID 477382

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

Structural Information

Molecular Formula
C37H44N2O5
SMILES
C1COCC1CC2C[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/C37H44N2O5/c40-32(23-39-31(19-26-11-5-2-6-12-26)20-30(37(39)43)18-27-15-16-44-24-27)21-29(17-25-9-3-1-4-10-25)36(42)38-35-33-14-8-7-13-28(33)22-34(35)41/h1-14,27,29-32,34-35,40-41H,15-24H2,(H,38,42)/t27?,29?,30?,31-,32?,34+,35-/m0/s1
InChIKey
RJQOVQWJERTRQG-FXELGBTDSA-N
Compound name
2-benzyl-5-[(5R)-5-benzyl-2-oxo-3-(oxolan-3-ylmethyl)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

596.325 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.33228 240.8
[M+Na]+ 619.31422 237.5
[M-H]- 595.31772 252.7
[M+NH4]+ 614.35882 243.7
[M+K]+ 635.28816 233.3
[M+H-H2O]+ 579.32226 232.2
[M+HCOO]- 641.32320 250.0
[M+CH3COO]- 655.33885 243.8
[M+Na-2H]- 617.29967 228.3
[M]+ 596.32445 236.8
[M]- 596.32555 236.8
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.