CID 148110

S-(n,n-diethyldithiocarbamoyl)-l-glutathione

Structural Information

Molecular Formula
C15H26N4O6S3
SMILES
CCN(CC)C(=S)SSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C15H26N4O6S3/c1-3-19(4-2)15(26)28-27-8-10(13(23)17-7-12(21)22)18-11(20)6-5-9(16)14(24)25/h9-10H,3-8,16H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25)/t9-,10-/m0/s1
InChIKey
IACYOKVZTLHYQR-UWVGGRQHSA-N
Compound name
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(diethylcarbamothioyldisulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.10144 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.10872 194.4
[M+Na]+ 477.09066 190.2
[M+NH4]+ 472.13526 240.7
[M+K]+ 493.06460 188.2
[M-H]- 453.09416 188.8
[M+Na-2H]- 475.07611 189.5
[M]+ 454.10089 192.2
[M]- 454.10199 192.2
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

No patent data available for this compound.