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 208.2
[M+Na]+ 499.09679 206.0
[M-H]- 475.10029 208.8
[M+NH4]+ 494.14139 212.4
[M+K]+ 515.07073 201.1
[M+H-H2O]+ 459.10483 199.0
[M+HCOO]- 521.10577 213.6
[M+CH3COO]- 535.12142 232.1
[M+Na-2H]- 497.08224 204.7
[M]+ 476.10702 209.5
[M]- 476.10812 209.5
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.