CID 22833544

L-cysteinylglycine disulfide

Structural Information

Molecular Formula
C8H15N3O5S2
SMILES
C([C@@H](C(=O)O)N)SSCC(C(=O)NCC(=O)O)N
InChI
InChI=1S/C8H15N3O5S2/c9-4(7(14)11-1-6(12)13)2-17-18-3-5(10)8(15)16/h4-5H,1-3,9-10H2,(H,11,14)(H,12,13)(H,15,16)/t4?,5-/m0/s1
InChIKey
ZHRLECIZINSPKL-AKGZTFGVSA-N
Compound name
(2R)-2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

7
Patents

297.04532 Da
Monoisotopic Mass

-6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.05260 162.3
[M+Na]+ 320.03454 162.6
[M-H]- 296.03804 156.6
[M+NH4]+ 315.07914 173.4
[M+K]+ 336.00848 159.2
[M+H-H2O]+ 280.04258 154.5
[M+HCOO]- 342.04352 168.3
[M+CH3COO]- 356.05917 202.6
[M+Na-2H]- 318.01999 157.3
[M]+ 297.04477 159.9
[M]- 297.04587 159.9
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