CID 477389

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

Structural Information

Molecular Formula
C29H37N3O4S
SMILES
CC(C)(C)NC(=O)C1CSCN1C(=O)C(CN2[C@H](CC(C2=O)CC3=CC=CC=C3)CC4=CC=CC=C4)O
InChI
InChI=1S/C29H37N3O4S/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/h4-13,22-25,33H,14-19H2,1-3H3,(H,30,34)/t22?,23-,24?,25?/m0/s1
InChIKey
UFLXVVFAHWUQST-IYQSZBERSA-N
Compound name
N-tert-butyl-3-[3-[(5R)-3,5-dibenzyl-2-oxopyrrolidin-1-yl]-2-hydroxypropanoyl]-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.2505 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.25778 228.0
[M+Na]+ 546.23972 228.4
[M-H]- 522.24322 236.1
[M+NH4]+ 541.28432 233.7
[M+K]+ 562.21366 223.8
[M+H-H2O]+ 506.24776 219.6
[M+HCOO]- 568.24870 235.0
[M+CH3COO]- 582.26435 242.6
[M+Na-2H]- 544.22517 219.0
[M]+ 523.24995 227.2
[M]- 523.25105 227.2
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.