CID 168010245

Galeapeptin gp715

Structural Information

Molecular Formula
C36H57N7O8
SMILES
CC(C)CC(C(=O)N1CCCC1C(=O)NC(C)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C)N
InChI
InChI=1S/C36H57N7O8/c1-19(2)17-26(35(49)43-16-12-15-27(43)32(46)38-23(8)36(50)51)40-31(45)25(18-24-13-10-9-11-14-24)39-33(47)28(20(3)4)42-34(48)29(21(5)6)41-30(44)22(7)37/h9-11,13-14,19-23,25-29H,12,15-18,37H2,1-8H3,(H,38,46)(H,39,47)(H,40,45)(H,41,44)(H,42,48)(H,50,51)
InChIKey
BUTSMIULCXQVHR-UHFFFAOYSA-N
Compound name
2-[[1-[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

715.4269 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 716.43418 266.1
[M+Na]+ 738.41612 265.0
[M-H]- 714.41962 271.7
[M+NH4]+ 733.46072 269.3
[M+K]+ 754.39006 261.3
[M+H-H2O]+ 698.42416 243.5
[M+HCOO]- 760.42510 269.8
[M+CH3COO]- 774.44075 299.7
[M+Na-2H]- 736.40157 299.6
[M]+ 715.42635 309.3
[M]- 715.42745 309.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.