CID 3256114

Carbobenzyloxy-l-isoleucylglycine benzyl ester

Structural Information

Molecular Formula
C23H28N2O5
SMILES
CCC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C23H28N2O5/c1-3-17(2)21(25-23(28)30-16-19-12-8-5-9-13-19)22(27)24-14-20(26)29-15-18-10-6-4-7-11-18/h4-13,17,21H,3,14-16H2,1-2H3,(H,24,27)(H,25,28)
InChIKey
WJICDXOSQZYXCC-UHFFFAOYSA-N
Compound name
benzyl 2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.19983 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.20711 200.5
[M+Na]+ 435.18905 207.9
[M+NH4]+ 430.23365 204.1
[M+K]+ 451.16299 203.5
[M-H]- 411.19255 202.3
[M+Na-2H]- 433.17450 204.9
[M]+ 412.19928 201.5
[M]- 412.20038 201.5
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.