CID 561542

Carbobenzyloxy-l-seryl-l-valine benzyl ester

Structural Information

Molecular Formula
C23H28N2O6
SMILES
CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CO)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C23H28N2O6/c1-16(2)20(22(28)30-14-17-9-5-3-6-10-17)25-21(27)19(13-26)24-23(29)31-15-18-11-7-4-8-12-18/h3-12,16,19-20,26H,13-15H2,1-2H3,(H,24,29)(H,25,27)
InChIKey
UOEPOEDWAMLDDI-UHFFFAOYSA-N
Compound name
benzyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.19473 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.20201 202.3
[M+Na]+ 451.18395 208.2
[M+NH4]+ 446.22855 204.8
[M+K]+ 467.15789 205.6
[M-H]- 427.18745 202.9
[M+Na-2H]- 449.16940 205.4
[M]+ 428.19418 202.6
[M]- 428.19528 202.6
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.