CID 297813

Carbobenzyloxyglycylglycyl-l-proline benzyl ester

Structural Information

Molecular Formula
C24H27N3O6
SMILES
C1CC(N(C1)C(=O)CNC(=O)CNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C24H27N3O6/c28-21(14-26-24(31)33-17-19-10-5-2-6-11-19)25-15-22(29)27-13-7-12-20(27)23(30)32-16-18-8-3-1-4-9-18/h1-6,8-11,20H,7,12-17H2,(H,25,28)(H,26,31)
InChIKey
CHYJSQZTJQBUSI-UHFFFAOYSA-N
Compound name
benzyl 1-[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

453.18997 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.19725 206.3
[M+Na]+ 476.17919 205.6
[M-H]- 452.18269 213.1
[M+NH4]+ 471.22379 213.0
[M+K]+ 492.15313 203.7
[M+H-H2O]+ 436.18723 195.4
[M+HCOO]- 498.18817 225.2
[M+CH3COO]- 512.20382 232.0
[M+Na-2H]- 474.16464 203.8
[M]+ 453.18942 206.3
[M]- 453.19052 206.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.