CID 131752843

Gamma-glutamyl-beta-(isoxazolin-5-on-2-yl)alanine

Structural Information

Molecular Formula
C11H15N3O7
SMILES
C1=CN(OC1=O)CC(C(=O)O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C11H15N3O7/c12-6(10(17)18)1-2-8(15)13-7(11(19)20)5-14-4-3-9(16)21-14/h3-4,6-7H,1-2,5,12H2,(H,13,15)(H,17,18)(H,19,20)
InChIKey
XXZPYJHULCBZPT-UHFFFAOYSA-N
Compound name
2-amino-5-[[1-carboxy-2-(5-oxo-1,2-oxazol-2-yl)ethyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.091 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09828 165.9
[M+Na]+ 324.08022 168.8
[M+NH4]+ 319.12482 166.5
[M+K]+ 340.05416 172.7
[M-H]- 300.08372 162.2
[M+Na-2H]- 322.06567 163.3
[M]+ 301.09045 164.0
[M]- 301.09155 164.0
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.