CID 5067261

N,n'-bis(carbobenzyloxy)lysylphenylalanine methyl ester

Structural Information

Molecular Formula
C32H37N3O7
SMILES
COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C32H37N3O7/c1-40-30(37)28(21-24-13-5-2-6-14-24)34-29(36)27(35-32(39)42-23-26-17-9-4-10-18-26)19-11-12-20-33-31(38)41-22-25-15-7-3-8-16-25/h2-10,13-18,27-28H,11-12,19-23H2,1H3,(H,33,38)(H,34,36)(H,35,39)
InChIKey
DZYKZAAHHBDWBC-UHFFFAOYSA-N
Compound name
methyl 2-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

575.2631 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 576.27038 239.1
[M+Na]+ 598.25232 234.3
[M-H]- 574.25582 245.5
[M+NH4]+ 593.29692 239.2
[M+K]+ 614.22626 233.3
[M+H-H2O]+ 558.26036 226.2
[M+HCOO]- 620.26130 257.4
[M+CH3COO]- 634.27695 259.0
[M+Na-2H]- 596.23777 236.1
[M]+ 575.26255 242.0
[M]- 575.26365 242.0
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.