CID 477391

3-[3-((r)-3,5-dibenzyl-2-oxo-pyrrolidin-1-yl)-2-oxo-propanoyl]-thiazolidine-4-carboxylic acid tert-butylamide

Structural Information

Molecular Formula
C29H35N3O4S
SMILES
CC(C)(C)NC(=O)C1CSCN1C(=O)C(=O)CN2[C@H](CC(C2=O)CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C29H35N3O4S/c1-29(2,3)30-26(34)24-18-37-19-32(24)28(36)25(33)17-31-23(15-21-12-8-5-9-13-21)16-22(27(31)35)14-20-10-6-4-7-11-20/h4-13,22-24H,14-19H2,1-3H3,(H,30,34)/t22?,23-,24?/m0/s1
InChIKey
XZOHAWCYHMKORF-WLXPTCNVSA-N
Compound name
N-tert-butyl-3-[3-[(5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-2-oxopropanoyl]-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.2348 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.24208 228.5
[M+Na]+ 544.22402 229.6
[M-H]- 520.22752 237.9
[M+NH4]+ 539.26862 234.8
[M+K]+ 560.19796 225.1
[M+H-H2O]+ 504.23206 219.8
[M+HCOO]- 566.23300 237.1
[M+CH3COO]- 580.24865 244.0
[M+Na-2H]- 542.20947 219.6
[M]+ 521.23425 228.7
[M]- 521.23535 228.7
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.