CID 92643349

Carbobenzyloxy-l-prolyl-l-tyrosine benzyl ester

Structural Information

Molecular Formula
C29H30N2O6
SMILES
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C29H30N2O6/c32-24-15-13-21(14-16-24)18-25(28(34)36-19-22-8-3-1-4-9-22)30-27(33)26-12-7-17-31(26)29(35)37-20-23-10-5-2-6-11-23/h1-6,8-11,13-16,25-26,32H,7,12,17-20H2,(H,30,33)/t25-,26-/m0/s1
InChIKey
LFCUISJZCHFOJR-UIOOFZCWSA-N
Compound name
benzyl (2S)-2-[[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

502.2104 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.21768 221.5
[M+Na]+ 525.19962 230.5
[M+NH4]+ 520.24422 224.9
[M+K]+ 541.17356 227.1
[M-H]- 501.20312 225.9
[M+Na-2H]- 523.18507 227.9
[M]+ 502.20985 223.5
[M]- 502.21095 223.5
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.