CID 4257641

Carbobenzyloxyvalylalanine benzyl ester

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.19983 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.20711 199.6
[M+Na]+ 435.18905 206.6
[M+NH4]+ 430.23365 203.1
[M+K]+ 451.16299 203.1
[M-H]- 411.19255 201.2
[M+Na-2H]- 433.17450 203.7
[M]+ 412.19928 200.4
[M]- 412.20038 200.4
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.