CID 477181

(2s)-2-[[2-[3-[(1r,3r,4r)-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]acetyl]amino]butanedioic acid

Structural Information

Molecular Formula
C30H50N4O13SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)N[C@@H](CC(=O)O)C(=O)O)[C@H]2[C@@H](C3([C@H](O2)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O3)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C30H50N4O13SSi2/c1-17-13-34(27(41)33(24(17)38)14-21(35)32-18(26(39)40)12-22(36)37)25-23(46-50(10,11)29(5,6)7)30(19(31)16-48(42,43)47-30)20(45-25)15-44-49(8,9)28(2,3)4/h13,16,18,20,23,25H,12,14-15,31H2,1-11H3,(H,32,35)(H,36,37)(H,39,40)/t18-,20+,23-,25+,30?/m0/s1
InChIKey
XZHULJGVKUMOSZ-LJDGCTIQSA-N
Compound name
(2S)-2-[[2-[3-[(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]acetyl]amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

762.26337 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 763.27065 223.5
[M+Na]+ 785.25259 230.2
[M-H]- 761.25609 225.7
[M+NH4]+ 780.29719 227.0
[M+K]+ 801.22653 221.0
[M+H-H2O]+ 745.26063 211.1
[M+HCOO]- 807.26157 228.9
[M+CH3COO]- 821.27722 283.6
[M+Na-2H]- 783.23804 241.2
[M]+ 762.26282 241.3
[M]- 762.26392 241.3
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.