CID 11850212

(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)-2,4-diamino-4-oxo-butanoyl]pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C36H63N7O11SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)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/C36H63N7O11SSi2/c1-22-19-43(33(48)42(30(22)46)17-13-15-40-29(45)24-14-12-16-41(24)31(47)23(37)18-27(39)44)32-28(53-57(10,11)35(5,6)7)36(25(38)21-55(49,50)54-36)26(52-32)20-51-56(8,9)34(2,3)4/h19,21,23-24,26,28,32H,12-18,20,37-38H2,1-11H3,(H2,39,44)(H,40,45)/t23-,24-,26+,28-,32+,36+/m0/s1
InChIKey
SOABHHGZEAIHLL-JDUWHHRNSA-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)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

857.38446 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 858.39174 250.7
[M+Na]+ 880.37368 257.4
[M-H]- 856.37718 252.2
[M+NH4]+ 875.41828 254.2
[M+K]+ 896.34762 252.6
[M+H-H2O]+ 840.38172 236.3
[M+HCOO]- 902.38266 255.3
[M+CH3COO]- 916.39831 258.6
[M+Na-2H]- 878.35913 266.8
[M]+ 857.38391 272.0
[M]- 857.38501 272.0
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.