CID 3033325

L-n,n'-bis(hydrocinnamoyl)cystine dipotassium salt

Structural Information

Molecular Formula
C24H28N2O6S2
SMILES
C1=CC=C(C=C1)CCC(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC(=O)CCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C24H28N2O6S2/c27-21(13-11-17-7-3-1-4-8-17)25-19(23(29)30)15-33-34-16-20(24(31)32)26-22(28)14-12-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t19-,20-/m0/s1
InChIKey
CNRYFRKMHYKNQM-PMACEKPBSA-N
Compound name
(2R)-3-[[(2R)-2-carboxy-2-(3-phenylpropanoylamino)ethyl]disulfanyl]-2-(3-phenylpropanoylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.1389 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.14618 209.2
[M+Na]+ 527.12812 212.8
[M+NH4]+ 522.17272 211.5
[M+K]+ 543.10206 207.1
[M-H]- 503.13162 209.0
[M+Na-2H]- 525.11357 211.8
[M]+ 504.13835 209.8
[M]- 504.13945 209.8
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

No patent data available for this compound.