CID 168010296

Galeapeptin gp795

Structural Information

Molecular Formula
C39H70N8O9
SMILES
CC(C)CC(C(=O)NC(C)C(=O)O)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C)N
InChI
InChI=1S/C39H70N8O9/c1-19(2)16-26(33(49)41-25(12)39(55)56)42-35(51)29-14-13-15-47(29)38(54)28(18-21(5)6)44-34(50)27(17-20(3)4)43-36(52)30(22(7)8)46-37(53)31(23(9)10)45-32(48)24(11)40/h19-31H,13-18,40H2,1-12H3,(H,41,49)(H,42,51)(H,43,52)(H,44,50)(H,45,48)(H,46,53)(H,55,56)
InChIKey
JQOYSJNAVGXVIT-UHFFFAOYSA-N
Compound name
2-[[2-[[1-[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

794.52655 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 795.53383 283.3
[M+Na]+ 817.51577 279.1
[M-H]- 793.51927 290.5
[M+NH4]+ 812.56037 285.8
[M+K]+ 833.48971 275.6
[M+H-H2O]+ 777.52381 260.9
[M+HCOO]- 839.52475 285.8
[M+CH3COO]- 853.54040 316.8
[M+Na-2H]- 815.50122 320.5
[M]+ 794.52600 326.6
[M]- 794.52710 326.6
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.