CID 168010352

Galeapeptin gp998

Structural Information

Molecular Formula
C51H83N9O11
SMILES
CC(C)CC(C(=O)NC(C)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)N2CCCC2C(=O)NC(=O)C(C)C
InChI
InChI=1S/C51H83N9O11/c1-26(2)23-35(45(64)53-33(14)51(70)71)55-48(67)39(28(5)6)58-49(68)40(29(7)8)57-46(65)37(25-34-19-16-15-17-20-34)54-43(62)32(13)52-44(63)36(24-27(3)4)56-50(69)41(30(9)10)60-22-18-21-38(60)47(66)59-42(61)31(11)12/h15-17,19-20,26-33,35-41H,18,21-25H2,1-14H3,(H,52,63)(H,53,64)(H,54,62)(H,55,67)(H,56,69)(H,57,65)(H,58,68)(H,70,71)(H,59,61,66)
InChIKey
RGGXLNKDXBSUQY-UHFFFAOYSA-N
Compound name
2-[[4-methyl-2-[[3-methyl-2-[[3-methyl-2-[[2-[2-[[4-methyl-2-[[3-methyl-2-[2-(2-methylpropanoylcarbamoyl)pyrrolidin-1-yl]butanoyl]amino]pentanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]amino]pentanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

997.6212 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 998.62848 322.2
[M+Na]+ 1020.6104 316.4
[M-H]- 996.61392 332.7
[M+NH4]+ 1015.6550 324.8
[M+K]+ 1036.5844 311.7
[M+H-H2O]+ 980.61846 296.5
[M+HCOO]- 1042.6194 323.7
[M+CH3COO]- 1056.6351 324.9
[M+Na-2H]- 1018.5959 362.4
[M]+ 997.62065 368.8
[M]- 997.62175 368.8
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.