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
2
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 218.3
[M+Na]+ 515.22202 242.7
[M-H]- 491.22552 231.6
[M+NH4]+ 510.26662 239.3
[M+K]+ 531.19596 208.6
[M+H-H2O]+ 475.23006 209.3
[M+HCOO]- 537.23100 230.4
[M+CH3COO]- 551.24665 239.4
[M+Na-2H]- 513.20747 208.8
[M]+ 492.23225 233.8
[M]- 492.23335 233.8
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