CID 477179

(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]propanoic acid

Structural Information

Molecular Formula
C29H50N4O11SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CC(=O)N[C@@H](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/C29H50N4O11SSi2/c1-17-13-33(26(38)32(23(17)35)14-21(34)31-18(2)25(36)37)24-22(43-47(11,12)28(6,7)8)29(19(30)16-45(39,40)44-29)20(42-24)15-41-46(9,10)27(3,4)5/h13,16,18,20,22,24H,14-15,30H2,1-12H3,(H,31,34)(H,36,37)/t18-,20+,22-,24+,29?/m0/s1
InChIKey
OQXBISVYPQPTJT-UFLZXFKJSA-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]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

718.27356 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 719.28084 220.5
[M+Na]+ 741.26278 228.3
[M-H]- 717.26628 222.1
[M+NH4]+ 736.30738 224.1
[M+K]+ 757.23672 218.7
[M+H-H2O]+ 701.27082 208.3
[M+HCOO]- 763.27176 226.2
[M+CH3COO]- 777.28741 277.7
[M+Na-2H]- 739.24823 237.4
[M]+ 718.27301 238.1
[M]- 718.27411 238.1
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.