CID 119350

N-gamma-glutamylcysteine ethyl ester

Structural Information

Molecular Formula
C10H18N2O5S
SMILES
CCOC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C10H18N2O5S/c1-2-17-10(16)7(5-18)12-8(13)4-3-6(11)9(14)15/h6-7,18H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7-/m0/s1
InChIKey
IVEKVTHFAJJKGA-BQBZGAKWSA-N
Compound name
(2S)-2-amino-5-[[(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

42
References

1019
Patents

278.09363 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10091 164.0
[M+Na]+ 301.08285 166.4
[M+NH4]+ 296.12745 166.9
[M+K]+ 317.05679 164.5
[M-H]- 277.08635 159.6
[M+Na-2H]- 299.06830 161.3
[M]+ 278.09308 162.5
[M]- 278.09418 162.5
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