CID 511226

L-glutamine, n2-[[[(2s,5r)-5-(3,4-dihydro-5-methyl-2,4-dioxo-1(2h)-pyrimidinyl)-2,5-dihydro-2-furanyl]methoxy]phenoxyphosphinyl]-, methyl ester

Structural Information

Molecular Formula
C22H27N4O9P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COP(=O)(N[C@@H](CCC(=O)N)C(=O)OC)OC3=CC=CC=C3
InChI
InChI=1S/C22H27N4O9P/c1-14-12-26(22(30)24-20(14)28)19-11-8-16(34-19)13-33-36(31,35-15-6-4-3-5-7-15)25-17(21(29)32-2)9-10-18(23)27/h3-8,11-12,16-17,19H,9-10,13H2,1-2H3,(H2,23,27)(H,25,31)(H,24,28,30)/t16-,17-,19+,36?/m0/s1
InChIKey
WMYXMVDHTWZAKM-FOFVGFJWSA-N
Compound name
methyl (2S)-5-amino-2-[[[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methoxy-phenoxyphosphoryl]amino]-5-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.15155 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.15883 214.3
[M+Na]+ 545.14077 215.8
[M-H]- 521.14427 219.4
[M+NH4]+ 540.18537 215.3
[M+K]+ 561.11471 216.7
[M+H-H2O]+ 505.14881 201.4
[M+HCOO]- 567.14975 235.4
[M+CH3COO]- 581.16540 245.9
[M+Na-2H]- 543.12622 211.2
[M]+ 522.15100 218.6
[M]- 522.15210 218.6
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.