CID 21124886

L-cystine, n,n'-bis(1-oxooctyl)-

Structural Information

Molecular Formula
C22H40N2O6S2
SMILES
CCCCCCCC(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC(=O)CCCCCCC)C(=O)O
InChI
InChI=1S/C22H40N2O6S2/c1-3-5-7-9-11-13-19(25)23-17(21(27)28)15-31-32-16-18(22(29)30)24-20(26)14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/t17-,18-/m0/s1
InChIKey
IEXQFIQEVJTLIE-ROUUACIJSA-N
Compound name
(2R)-3-[[(2R)-2-carboxy-2-(octanoylamino)ethyl]disulfanyl]-2-(octanoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

492.2328 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.24008 215.7
[M+Na]+ 515.22202 254.8
[M+NH4]+ 510.26662 248.3
[M+K]+ 531.19596 246.6
[M-H]- 491.22552 242.5
[M+Na-2H]- 513.20747 209.7
[M]+ 492.23225 245.1
[M]- 492.23335 245.1
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