CID 135465378

Gcv-val-gly diester

Structural Information

Molecular Formula
C23H37N9O8
SMILES
CC(C)[C@@H](C(=O)OCC(COC(=O)[C@H](C(C)C)NC(=O)CN)OCN1C=NC2=C1N=C(NC2=O)N)NC(=O)CN
InChI
InChI=1S/C23H37N9O8/c1-11(2)16(28-14(33)5-24)21(36)38-7-13(8-39-22(37)17(12(3)4)29-15(34)6-25)40-10-32-9-27-18-19(32)30-23(26)31-20(18)35/h9,11-13,16-17H,5-8,10,24-25H2,1-4H3,(H,28,33)(H,29,34)(H3,26,30,31,35)/t16-,17-/m0/s1
InChIKey
PLTSMRVAWJXIFG-IRXDYDNUSA-N
Compound name
[3-[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]oxy-2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]propyl] (2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

567.2765 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.28378 231.5
[M+Na]+ 590.26572 231.7
[M-H]- 566.26922 226.8
[M+NH4]+ 585.31032 231.8
[M+K]+ 606.23966 226.5
[M+H-H2O]+ 550.27376 211.2
[M+HCOO]- 612.27470 233.2
[M+CH3COO]- 626.29035 266.9
[M+Na-2H]- 588.25117 248.2
[M]+ 567.27595 259.3
[M]- 567.27705 259.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.