CID 11850364

(2s)-2-amino-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]-3-methyl-butanamide

Structural Information

Molecular Formula
C32H59N5O9SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCNC(=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/C32H59N5O9SSi2/c1-20(2)24(34)26(38)35-15-14-16-36-27(39)21(3)17-37(29(36)40)28-25(45-49(12,13)31(7,8)9)32(22(33)19-47(41,42)46-32)23(44-28)18-43-48(10,11)30(4,5)6/h17,19-20,23-25,28H,14-16,18,33-34H2,1-13H3,(H,35,38)/t23-,24+,25+,28-,32-/m1/s1
InChIKey
YQQWKOBZEYWFDH-DFGQHCEXSA-N
Compound name
(2S)-2-amino-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]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

745.3572 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 746.36448 234.0
[M+Na]+ 768.34642 242.3
[M-H]- 744.34992 235.5
[M+NH4]+ 763.39102 238.0
[M+K]+ 784.32036 233.3
[M+H-H2O]+ 728.35446 221.3
[M+HCOO]- 790.35540 239.7
[M+CH3COO]- 804.37105 288.6
[M+Na-2H]- 766.33187 253.1
[M]+ 745.35665 255.3
[M]- 745.35775 255.3
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.