CID 131750780

Phenylalanyl-gamma-glutamate

Structural Information

Molecular Formula
C14H19N3O4
SMILES
C1=CC=C(C=C1)CC(C(=O)NC(=O)CCC(C(=O)O)N)N
InChI
InChI=1S/C14H19N3O4/c15-10(14(20)21)6-7-12(18)17-13(19)11(16)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,15-16H2,(H,20,21)(H,17,18,19)
InChIKey
XWHWNYMBZXDFRP-UHFFFAOYSA-N
Compound name
2-amino-5-[(2-amino-3-phenylpropanoyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

293.13754 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14482 169.2
[M+Na]+ 316.12676 173.4
[M+NH4]+ 311.17136 172.4
[M+K]+ 332.10070 172.2
[M-H]- 292.13026 168.2
[M+Na-2H]- 314.11221 170.0
[M]+ 293.13699 168.5
[M]- 293.13809 168.5
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

patents stripe