CID 6995101

N,n'-diacetyl-l-cystine

Structural Information

Molecular Formula
C10H16N2O6S2
SMILES
CC(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC(=O)C)C(=O)O
InChI
InChI=1S/C10H16N2O6S2/c1-5(13)11-7(9(15)16)3-19-20-4-8(10(17)18)12-6(2)14/h7-8H,3-4H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1
InChIKey
YTPQSLLEROSACP-YUMQZZPRSA-N
Compound name
(2R)-2-acetamido-3-[[(2R)-2-acetamido-2-carboxyethyl]disulfanyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

642
Patents

324.04498 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.05226 170.4
[M+Na]+ 347.03420 170.9
[M+NH4]+ 342.07880 172.3
[M+K]+ 363.00814 168.8
[M-H]- 323.03770 164.8
[M+Na-2H]- 345.01965 166.6
[M]+ 324.04443 168.7
[M]- 324.04553 168.7
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