CID 477385

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

Structural Information

Molecular Formula
C38H46N2O5
SMILES
C1CCOC(C1)CC2C[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/C38H46N2O5/c41-32(25-40-31(20-27-13-5-2-6-14-27)21-30(38(40)44)23-33-16-9-10-18-45-33)22-29(19-26-11-3-1-4-12-26)37(43)39-36-34-17-8-7-15-28(34)24-35(36)42/h1-8,11-15,17,29-33,35-36,41-42H,9-10,16,18-25H2,(H,39,43)/t29?,30?,31-,32?,33?,35+,36-/m0/s1
InChIKey
WTYMBJVYZWICHF-NWLIDNKDSA-N
Compound name
2-benzyl-5-[(5R)-5-benzyl-3-(oxan-2-ylmethyl)-2-oxopyrrolidin-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

610.3407 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.34798 245.2
[M+Na]+ 633.32992 240.7
[M-H]- 609.33342 255.5
[M+NH4]+ 628.37452 245.2
[M+K]+ 649.30386 236.0
[M+H-H2O]+ 593.33796 234.4
[M+HCOO]- 655.33890 251.5
[M+CH3COO]- 669.35455 246.7
[M+Na-2H]- 631.31537 233.8
[M]+ 610.34015 238.8
[M]- 610.34125 238.8
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.