CID 86577789

N-[4-amino-1-[[4-amino-1-[[4-amino-1-[[4-amino-1-[(4-amino-1-carbamoyl-butyl)carbamoyl]butyl]carbamoyl]butyl]carbamoyl]butyl]carbamoyl]butyl]octanamide

Structural Information

Molecular Formula
C33H67N11O6
SMILES
CCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)N
InChI
InChI=1S/C33H67N11O6/c1-2-3-4-5-6-17-28(45)40-24(13-8-19-35)30(47)42-26(15-10-21-37)32(49)44-27(16-11-22-38)33(50)43-25(14-9-20-36)31(48)41-23(29(39)46)12-7-18-34/h23-27H,2-22,34-38H2,1H3,(H2,39,46)(H,40,45)(H,41,48)(H,42,47)(H,43,50)(H,44,49)
InChIKey
NONBFWURGWYEDZ-UHFFFAOYSA-N
Compound name
N-[5-amino-1-[[5-amino-1-[[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

713.5276 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 714.53488 262.6
[M+Na]+ 736.51682 259.1
[M-H]- 712.52032 262.2
[M+NH4]+ 731.56142 263.8
[M+K]+ 752.49076 262.0
[M+H-H2O]+ 696.52486 243.2
[M+HCOO]- 758.52580 264.2
[M+CH3COO]- 772.54145 311.6
[M+Na-2H]- 734.50227 304.5
[M]+ 713.52705 296.2
[M]- 713.52815 296.2
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.