CID 11850009

(2s)-1-(2-aminoacetyl)-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]pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C34H60N6O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCNC(=O)[C@@H]2CCCN2C(=O)CN)[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/C34H60N6O10SSi2/c1-22-19-40(31(44)39(29(22)43)17-13-15-37-28(42)23-14-12-16-38(23)26(41)18-35)30-27(49-53(10,11)33(5,6)7)34(24(36)21-51(45,46)50-34)25(48-30)20-47-52(8,9)32(2,3)4/h19,21,23,25,27,30H,12-18,20,35-36H2,1-11H3,(H,37,42)/t23-,25+,27-,30+,34+/m0/s1
InChIKey
WULPBOQOZHAWQX-MHJOBDGDSA-N
Compound name
(2S)-1-(2-aminoacetyl)-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]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

800.36304 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 801.37032 241.4
[M+Na]+ 823.35226 249.2
[M-H]- 799.35576 241.6
[M+NH4]+ 818.39686 244.6
[M+K]+ 839.32620 243.3
[M+H-H2O]+ 783.36030 227.7
[M+HCOO]- 845.36124 246.1
[M+CH3COO]- 859.37689 294.6
[M+Na-2H]- 821.33771 253.6
[M]+ 800.36249 258.0
[M]- 800.36359 258.0
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.