CID 131752419

Gamma-l-glutamyl-gamma-l-glutamyl-l-methionine

Structural Information

Molecular Formula
C15H25N3O8S
SMILES
CSCCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C15H25N3O8S/c1-27-7-6-10(15(25)26)18-12(20)5-3-9(14(23)24)17-11(19)4-2-8(16)13(21)22/h8-10H,2-7,16H2,1H3,(H,17,19)(H,18,20)(H,21,22)(H,23,24)(H,25,26)
InChIKey
OGZNUDJBIAOLAA-UHFFFAOYSA-N
Compound name
2-amino-5-[[1-carboxy-4-[(1-carboxy-3-methylsulfanylpropyl)amino]-4-oxobutyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.13623 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.14351 192.8
[M+Na]+ 430.12545 209.4
[M-H]- 406.12895 206.4
[M+NH4]+ 425.17005 204.2
[M+K]+ 446.09939 189.7
[M+H-H2O]+ 390.13349 184.6
[M+HCOO]- 452.13443 189.6
[M+CH3COO]- 466.15008 224.9
[M+Na-2H]- 428.11090 183.7
[M]+ 407.13568 191.9
[M]- 407.13678 191.9
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.