CID 297847

Carbobenzyloxyglycyl-l-threonine benzyl ester

Structural Information

Molecular Formula
C21H24N2O6
SMILES
CC(C(C(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C21H24N2O6/c1-15(24)19(20(26)28-13-16-8-4-2-5-9-16)23-18(25)12-22-21(27)29-14-17-10-6-3-7-11-17/h2-11,15,19,24H,12-14H2,1H3,(H,22,27)(H,23,25)
InChIKey
WFOUCHSTLPZYMW-UHFFFAOYSA-N
Compound name
benzyl 3-hydroxy-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.16342 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.17070 194.7
[M+Na]+ 423.15264 201.4
[M+NH4]+ 418.19724 197.6
[M+K]+ 439.12658 198.3
[M-H]- 399.15614 195.5
[M+Na-2H]- 421.13809 198.5
[M]+ 400.16287 195.1
[M]- 400.16397 195.1
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.