CID 5205184

Carbobenzyloxyglycylglycyl-l-tyrosine benzyl ester

Structural Information

Molecular Formula
C28H29N3O7
SMILES
C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)O)NC(=O)CNC(=O)CNC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C28H29N3O7/c32-23-13-11-20(12-14-23)15-24(27(35)37-18-21-7-3-1-4-8-21)31-26(34)17-29-25(33)16-30-28(36)38-19-22-9-5-2-6-10-22/h1-14,24,32H,15-19H2,(H,29,33)(H,30,36)(H,31,34)
InChIKey
SINKMRYLYGHEJV-UHFFFAOYSA-N
Compound name
benzyl 3-(4-hydroxyphenyl)-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.20056 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.20784 223.9
[M+Na]+ 542.18978 230.6
[M+NH4]+ 537.23438 225.5
[M+K]+ 558.16372 226.7
[M-H]- 518.19328 227.0
[M+Na-2H]- 540.17523 229.2
[M]+ 519.20001 225.0
[M]- 519.20111 225.0
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.