CID 11849936

(2s)-n-[3-[3-[(1r,3r,4r,5r)-6-amino-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]-5-methyl-2,6-dioxo-pyrimidin-1-yl]propyl]-1-[(2s)-2-aminopropanoyl]pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C35H62N6O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)[C@H]3[C@@H]([C@]4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C35H62N6O10SSi2/c1-22-19-41(32(45)40(29(22)43)18-14-16-38-28(42)24-15-13-17-39(24)30(44)23(2)36)31-27(50-54(11,12)34(6,7)8)35(25(37)21-52(46,47)51-35)26(49-31)20-48-53(9,10)33(3,4)5/h19,21,23-24,26-27,31H,13-18,20,36-37H2,1-12H3,(H,38,42)/t23-,24-,26+,27-,31+,35+/m0/s1
InChIKey
VCOMZVUQGOSKON-YTZMHUHQSA-N
Compound name
(2S)-N-[3-[3-[(5R,6R,8R,9R)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]propyl]-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

814.37866 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 815.38594 242.5
[M+Na]+ 837.36788 250.3
[M-H]- 813.37138 243.6
[M+NH4]+ 832.41248 246.0
[M+K]+ 853.34182 244.0
[M+H-H2O]+ 797.37592 228.6
[M+HCOO]- 859.37686 247.4
[M+CH3COO]- 873.39251 297.9
[M+Na-2H]- 835.35333 256.0
[M]+ 814.37811 261.5
[M]- 814.37921 261.5
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.