CID 477180

(2s)-2-[[2-[3-[(1r,3r,4r)-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]acetyl]amino]-3-methyl-butanoic acid

Structural Information

Molecular Formula
C31H54N4O11SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)N[C@@H](C(C)C)C(=O)O)[C@H]2[C@@H](C3([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/C31H54N4O11SSi2/c1-18(2)23(27(38)39)33-22(36)15-34-25(37)19(3)14-35(28(34)40)26-24(45-49(12,13)30(7,8)9)31(20(32)17-47(41,42)46-31)21(44-26)16-43-48(10,11)29(4,5)6/h14,17-18,21,23-24,26H,15-16,32H2,1-13H3,(H,33,36)(H,38,39)/t21-,23+,24+,26-,31?/m1/s1
InChIKey
OCPREUBNPZFLOZ-FNXINQCBSA-N
Compound name
(2S)-2-[[2-[3-[(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]acetyl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

746.3048 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.31208 224.2
[M+Na]+ 769.29402 231.9
[M-H]- 745.29752 226.7
[M+NH4]+ 764.33862 228.1
[M+K]+ 785.26796 221.8
[M+H-H2O]+ 729.30206 211.8
[M+HCOO]- 791.30300 230.1
[M+CH3COO]- 805.31865 283.7
[M+Na-2H]- 767.27947 242.4
[M]+ 746.30425 244.2
[M]- 746.30535 244.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.