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 208.0
[M+Na]+ 469.17339 207.7
[M-H]- 445.17689 215.7
[M+NH4]+ 464.21799 214.3
[M+K]+ 485.14733 204.7
[M+H-H2O]+ 429.18143 196.4
[M+HCOO]- 491.18237 228.9
[M+CH3COO]- 505.19802 232.6
[M+Na-2H]- 467.15884 208.8
[M]+ 446.18362 208.9
[M]- 446.18472 208.9
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.