CID 21201348

N-gamma-glutamyl-s-propylcysteine

Structural Information

Molecular Formula
C11H20N2O5S
SMILES
CCCSCC(C(=O)O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C11H20N2O5S/c1-2-5-19-6-8(11(17)18)13-9(14)4-3-7(12)10(15)16/h7-8H,2-6,12H2,1H3,(H,13,14)(H,15,16)(H,17,18)
InChIKey
MTFUIXBAXHURMH-UHFFFAOYSA-N
Compound name
2-amino-5-[(1-carboxy-2-propylsulfanylethyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

292.10928 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11656 168.4
[M+Na]+ 315.09850 169.5
[M-H]- 291.10200 164.0
[M+NH4]+ 310.14310 180.9
[M+K]+ 331.07244 167.8
[M+H-H2O]+ 275.10654 161.4
[M+HCOO]- 337.10748 179.7
[M+CH3COO]- 351.12313 202.0
[M+Na-2H]- 313.08395 163.0
[M]+ 292.10873 168.6
[M]- 292.10983 168.6
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