CID 3331805

Carbobenzyloxy-l-tryptophylglycylglycine methyl ester

Structural Information

Molecular Formula
C24H26N4O6
SMILES
COC(=O)CNC(=O)CNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C24H26N4O6/c1-33-22(30)14-26-21(29)13-27-23(31)20(11-17-12-25-19-10-6-5-9-18(17)19)28-24(32)34-15-16-7-3-2-4-8-16/h2-10,12,20,25H,11,13-15H2,1H3,(H,26,29)(H,27,31)(H,28,32)
InChIKey
PAYVYPBIOYNRJK-UHFFFAOYSA-N
Compound name
methyl 2-[[2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

466.18524 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.192516 207.6
[M+Na]+ 489.174458 208.0
[M-H]- 465.177964 211.8
[M+NH4]+ 484.219063 214.1
[M+K]+ 505.148398 206.0
[M+H-H2O]+ 449.182500 197.4
[M+HCOO]- 511.183441 227.5
[M+CH3COO]- 525.199091 236.9
[M+Na-2H]- 487.159906 208.0
[M]+ 466.18469142 210.0
[M]- 466.18578858 210.0
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.