CID 3302454

Carbobenzyloxyphenylalanylglycine benzyl ester

Structural Information

Molecular Formula
C26H26N2O5
SMILES
C1=CC=C(C=C1)CC(C(=O)NCC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C26H26N2O5/c29-24(32-18-21-12-6-2-7-13-21)17-27-25(30)23(16-20-10-4-1-5-11-20)28-26(31)33-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30)(H,28,31)
InChIKey
DOYRSIYTQFVMGZ-UHFFFAOYSA-N
Compound name
benzyl 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.18417 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.19145 209.2
[M+Na]+ 469.17339 219.1
[M+NH4]+ 464.21799 213.6
[M+K]+ 485.14733 212.7
[M-H]- 445.17689 214.0
[M+Na-2H]- 467.15884 217.2
[M]+ 446.18362 211.5
[M]- 446.18472 211.5
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.