CID 5289332

Carbobenzyloxy-(l)-leucinyl-(l)leucinyl methoxymethylketone

Structural Information

Molecular Formula
C22H36N2O5
SMILES
CC(C)C[C@@H]([C@@H](COC)O)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C22H36N2O5/c1-15(2)11-18(20(25)14-28-5)23-21(26)19(12-16(3)4)24-22(27)29-13-17-9-7-6-8-10-17/h6-10,15-16,18-20,25H,11-14H2,1-5H3,(H,23,26)(H,24,27)/t18-,19-,20+/m0/s1
InChIKey
LHCNZPLAATYYPI-SLFFLAALSA-N
Compound name
benzyl N-[(2S)-1-[[(2S,3S)-2-hydroxy-1-methoxy-5-methylhexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.26242 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.26970 205.8
[M+Na]+ 431.25164 203.9
[M-H]- 407.25514 205.8
[M+NH4]+ 426.29624 214.2
[M+K]+ 447.22558 204.0
[M+H-H2O]+ 391.25968 197.1
[M+HCOO]- 453.26062 221.0
[M+CH3COO]- 467.27627 230.6
[M+Na-2H]- 429.23709 199.0
[M]+ 408.26187 208.0
[M]- 408.26297 208.0
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.