CID 11850571

(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-amino-3-phenyl-propanoyl]pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C41H66N6O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCNC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CC=CC=C3)N)[C@H]4[C@@H]([C@]5([C@H](O4)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O5)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C41H66N6O10SSi2/c1-27-24-47(38(51)46(35(27)49)22-16-20-44-34(48)30-19-15-21-45(30)36(50)29(42)23-28-17-13-12-14-18-28)37-33(56-60(10,11)40(5,6)7)41(31(43)26-58(52,53)57-41)32(55-37)25-54-59(8,9)39(2,3)4/h12-14,17-18,24,26,29-30,32-33,37H,15-16,19-23,25,42-43H2,1-11H3,(H,44,48)/t29-,30-,32+,33-,37+,41+/m0/s1
InChIKey
DYRZNLCRMQMVAF-ATPYQQNKSA-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-amino-3-phenylpropanoyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

890.41 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 891.41728 258.1
[M+Na]+ 913.39922 267.3
[M-H]- 889.40272 260.3
[M+NH4]+ 908.44382 262.4
[M+K]+ 929.37316 259.8
[M+H-H2O]+ 873.40726 242.7
[M+HCOO]- 935.40820 263.4
[M+CH3COO]- 949.42385 266.6
[M+Na-2H]- 911.38467 272.0
[M]+ 890.40945 281.8
[M]- 890.41055 281.8
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.