CID 6994993

Z-gln-gly-oh

Structural Information

Molecular Formula
C15H19N3O6
SMILES
C1=CC=C(C=C1)COC(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)O
InChI
InChI=1S/C15H19N3O6/c16-12(19)7-6-11(14(22)17-8-13(20)21)18-15(23)24-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,16,19)(H,17,22)(H,18,23)(H,20,21)/t11-/m0/s1
InChIKey
SOUXAAOTONMPRY-NSHDSACASA-N
Compound name
2-[[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

824
Patents

337.12738 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13466 176.8
[M+Na]+ 360.11660 177.8
[M-H]- 336.12010 177.4
[M+NH4]+ 355.16120 187.2
[M+K]+ 376.09054 177.5
[M+H-H2O]+ 320.12464 168.2
[M+HCOO]- 382.12558 197.3
[M+CH3COO]- 396.14123 213.9
[M+Na-2H]- 358.10205 175.5
[M]+ 337.12683 175.9
[M]- 337.12793 175.9
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.