CID 11023929

Boc-leu-osu

Structural Information

Molecular Formula
C15H24N2O6
SMILES
CC(C)C[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H24N2O6/c1-9(2)8-10(16-14(21)22-15(3,4)5)13(20)23-17-11(18)6-7-12(17)19/h9-10H,6-8H2,1-5H3,(H,16,21)/t10-/m0/s1
InChIKey
WXRGJQZMGGGTSS-JTQLQIEISA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

328.16342 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.170696 174.7
[M+Na]+ 351.152638 178.5
[M-H]- 327.156144 176.5
[M+NH4]+ 346.197243 188.7
[M+K]+ 367.126578 179.4
[M+H-H2O]+ 311.160680 168.7
[M+HCOO]- 373.161621 191.4
[M+CH3COO]- 387.177271 210.4
[M+Na-2H]- 349.138086 172.1
[M]+ 328.16287142 177.8
[M]- 328.16396858 177.8
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

patents stripe