CID 11850360

(2s,4r)-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-amino-3-methyl-butanoyl]-4-hydroxy-pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C37H66N6O11SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCNC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)N)O)[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/C37H66N6O11SSi2/c1-22(2)28(39)32(47)42-19-24(44)17-25(42)30(45)40-15-14-16-41-31(46)23(3)18-43(34(41)48)33-29(53-57(12,13)36(7,8)9)37(26(38)21-55(49,50)54-37)27(52-33)20-51-56(10,11)35(4,5)6/h18,21-22,24-25,27-29,33,44H,14-17,19-20,38-39H2,1-13H3,(H,40,45)/t24-,25+,27-,28+,29+,33-,37-/m1/s1
InChIKey
FAZIFQUPMVDDPG-XZSMKMSHSA-N
Compound name
(2S,4R)-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-amino-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

858.4049 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 859.41218 248.7
[M+Na]+ 881.39412 256.2
[M-H]- 857.39762 250.7
[M+NH4]+ 876.43872 252.4
[M+K]+ 897.36806 249.7
[M+H-H2O]+ 841.40216 235.0
[M+HCOO]- 903.40310 253.7
[M+CH3COO]- 917.41875 257.1
[M+Na-2H]- 879.37957 264.0
[M]+ 858.40435 269.2
[M]- 858.40545 269.2
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.