CID 131752418

N,n'-bis(g-glutamyl)-3,3'-(1,2-propylenedithio)dialanine

Structural Information

Molecular Formula
C19H32N4O10S2
SMILES
CC(CSCC(C(=O)O)NC(=O)CCC(C(=O)O)N)SCC(C(=O)O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C19H32N4O10S2/c1-9(35-8-13(19(32)33)23-15(25)5-3-11(21)17(28)29)6-34-7-12(18(30)31)22-14(24)4-2-10(20)16(26)27/h9-13H,2-8,20-21H2,1H3,(H,22,24)(H,23,25)(H,26,27)(H,28,29)(H,30,31)(H,32,33)
InChIKey
RYMQVKWYNXBGIX-UHFFFAOYSA-N
Compound name
2-amino-5-[[2-[2-[2-[(4-amino-4-carboxybutanoyl)amino]-2-carboxyethyl]sulfanylpropylsulfanyl]-1-carboxyethyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

540.156 Da
Monoisotopic Mass

-6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.16328 225.5
[M+Na]+ 563.14522 241.9
[M+NH4]+ 558.18982 235.7
[M+K]+ 579.11916 235.5
[M-H]- 539.14872 239.7
[M+Na-2H]- 561.13067 236.7
[M]+ 540.15545 232.5
[M]- 540.15655 232.5
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.