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]+ 467.19252 207.6
[M+Na]+ 489.17446 208.0
[M-H]- 465.17796 211.8
[M+NH4]+ 484.21906 214.1
[M+K]+ 505.14840 206.0
[M+H-H2O]+ 449.18250 197.4
[M+HCOO]- 511.18344 227.5
[M+CH3COO]- 525.19909 236.9
[M+Na-2H]- 487.15991 208.0
[M]+ 466.18469 210.0
[M]- 466.18579 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.