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 239.5
[M+Na]+ 599.23642 235.9
[M-H]- 575.23992 246.5
[M+NH4]+ 594.28102 240.0
[M+K]+ 615.21036 236.4
[M+H-H2O]+ 559.24446 227.1
[M+HCOO]- 621.24540 256.0
[M+CH3COO]- 635.26105 258.0
[M+Na-2H]- 597.22187 234.0
[M]+ 576.24665 244.3
[M]- 576.24775 244.3
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.