CID 3049926

Di-pa-l-cystine dipotassium

Structural Information

Molecular Formula
C22H24N2O6S2
SMILES
C1=CC=C(C=C1)CC(=O)N[C@@H](CSSCC(C(=O)O)NC(=O)CC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C22H24N2O6S2/c25-19(11-15-7-3-1-4-8-15)23-17(21(27)28)13-31-32-14-18(22(29)30)24-20(26)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)/t17-,18?/m0/s1
InChIKey
DWRCRIMPBCLETK-ZENAZSQFSA-N
Compound name
(2R)-3-[[2-carboxy-2-[(2-phenylacetyl)amino]ethyl]disulfanyl]-2-[(2-phenylacetyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.10757 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.11485 201.5
[M+Na]+ 499.09679 205.4
[M+NH4]+ 494.14139 204.1
[M+K]+ 515.07073 200.2
[M-H]- 475.10029 201.4
[M+Na-2H]- 497.08224 204.4
[M]+ 476.10702 202.2
[M]- 476.10812 202.2
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.