CID 4098448

N,o-bis(carbobenzyloxy)tyrosylleucine methyl ester

Structural Information

Molecular Formula
C32H36N2O8
SMILES
CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)OC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C32H36N2O8/c1-22(2)18-28(30(36)39-3)33-29(35)27(34-31(37)40-20-24-10-6-4-7-11-24)19-23-14-16-26(17-15-23)42-32(38)41-21-25-12-8-5-9-13-25/h4-17,22,27-28H,18-21H2,1-3H3,(H,33,35)(H,34,37)
InChIKey
RVZRFXQNUIMNED-UHFFFAOYSA-N
Compound name
methyl 4-methyl-2-[[2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxycarbonyloxyphenyl)propanoyl]amino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.2472 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.25448 235.8
[M+Na]+ 599.23642 242.2
[M+NH4]+ 594.28102 236.7
[M+K]+ 615.21036 239.1
[M-H]- 575.23992 238.1
[M+Na-2H]- 597.22187 240.2
[M]+ 576.24665 236.6
[M]- 576.24775 236.6
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.