CID 49767771

L-lysinamide, n~2~-benzoyl-l-lysyl-l-lysyl-

Structural Information

Molecular Formula
C25H43N7O4
SMILES
C1=CC=C(C=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N
InChI
InChI=1S/C25H43N7O4/c26-15-7-4-12-19(22(29)33)30-24(35)21(14-6-9-17-28)32-25(36)20(13-5-8-16-27)31-23(34)18-10-2-1-3-11-18/h1-3,10-11,19-21H,4-9,12-17,26-28H2,(H2,29,33)(H,30,35)(H,31,34)(H,32,36)/t19-,20-,21-/m0/s1
InChIKey
YCBZHXVCYCWEIR-ACRUOGEOSA-N
Compound name
N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

505.33765 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.34493 224.1
[M+Na]+ 528.32687 217.8
[M-H]- 504.33037 223.0
[M+NH4]+ 523.37147 214.8
[M+K]+ 544.30081 217.8
[M+H-H2O]+ 488.33491 212.7
[M+HCOO]- 550.33585 203.7
[M+CH3COO]- 564.35150 263.3
[M+Na-2H]- 526.31232 215.4
[M]+ 505.33710 218.6
[M]- 505.33820 218.6
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.