CID 11953699

Boc-gly-leu-oh

Structural Information

Molecular Formula
C13H24N2O5
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C13H24N2O5/c1-8(2)6-9(11(17)18)15-10(16)7-14-12(19)20-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,19)(H,15,16)(H,17,18)/t9-/m0/s1
InChIKey
RGNNFKYULPHSJI-VIFPVBQESA-N
Compound name
(2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

288.16852 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.175796 169.2
[M+Na]+ 311.157738 171.5
[M-H]- 287.161244 167.4
[M+NH4]+ 306.202343 183.2
[M+K]+ 327.131678 172.6
[M+H-H2O]+ 271.165780 163.3
[M+HCOO]- 333.166721 186.6
[M+CH3COO]- 347.182371 205.4
[M+Na-2H]- 309.143186 167.6
[M]+ 288.16797142 170.6
[M]- 288.16906858 170.6
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

patents stripe