CID 11850290

(2s)-2-amino-n-[2-[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]propylamino]-2-oxo-ethyl]-3-methyl-butanamide

Structural Information

Molecular Formula
C34H62N6O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCNC(=O)CNC(=O)[C@H](C(C)C)N)[C@H]2[C@@H]([C@]3([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/C34H62N6O10SSi2/c1-21(2)26(36)28(42)38-17-25(41)37-15-14-16-39-29(43)22(3)18-40(31(39)44)30-27(49-53(12,13)33(7,8)9)34(23(35)20-51(45,46)50-34)24(48-30)19-47-52(10,11)32(4,5)6/h18,20-21,24,26-27,30H,14-17,19,35-36H2,1-13H3,(H,37,41)(H,38,42)/t24-,26+,27+,30-,34-/m1/s1
InChIKey
SUTLAHLSCJFDHQ-SNEOGDSHSA-N
Compound name
(2S)-2-amino-N-[2-[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]propylamino]-2-oxoethyl]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

802.37866 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 803.38594 244.0
[M+Na]+ 825.36788 251.2
[M-H]- 801.37138 246.0
[M+NH4]+ 820.41248 247.9
[M+K]+ 841.34182 243.1
[M+H-H2O]+ 785.37592 230.7
[M+HCOO]- 847.37686 249.3
[M+CH3COO]- 861.39251 300.9
[M+Na-2H]- 823.35333 265.7
[M]+ 802.37811 267.7
[M]- 802.37921 267.7
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.