CID 3375152

L-l-homoglutathione

Structural Information

Molecular Formula
C11H19N3O6S
SMILES
C(CC(=O)NC(CS)C(=O)NCCC(=O)O)C(C(=O)O)N
InChI
InChI=1S/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)
InChIKey
HKBNQXMLSMKLJV-UHFFFAOYSA-N
Compound name
2-amino-5-[[1-(2-carboxyethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

182
Patents

321.09946 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10674 172.6
[M+Na]+ 344.08868 172.1
[M+NH4]+ 339.13328 173.4
[M+K]+ 360.06262 172.2
[M-H]- 320.09218 166.8
[M+Na-2H]- 342.07413 168.2
[M]+ 321.09891 170.0
[M]- 321.10001 170.0
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

patents stripe