CID 11850077

(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]-2-[[(2s)-2-amino-3-methyl-butanoyl]amino]-4-methyl-pentanamide

Structural Information

Molecular Formula
C38H70N6O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCNC(=O)[C@H](CC(C)C)NC(=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/C38H70N6O10SSi2/c1-23(2)19-26(42-32(46)29(40)24(3)4)31(45)41-17-16-18-43-33(47)25(5)20-44(35(43)48)34-30(53-57(14,15)37(9,10)11)38(27(39)22-55(49,50)54-38)28(52-34)21-51-56(12,13)36(6,7)8/h20,22-24,26,28-30,34H,16-19,21,39-40H2,1-15H3,(H,41,45)(H,42,46)/t26-,28+,29-,30-,34+,38+/m0/s1
InChIKey
WIMUMAMRXCBMIU-NWYSANBWSA-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]-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

858.4413 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 859.44858 252.1
[M+Na]+ 881.43052 259.1
[M-H]- 857.43402 255.9
[M+NH4]+ 876.47512 256.5
[M+K]+ 897.40446 250.1
[M+H-H2O]+ 841.43856 238.3
[M+HCOO]- 903.43950 257.7
[M+CH3COO]- 917.45515 312.2
[M+Na-2H]- 879.41597 276.5
[M]+ 858.44075 280.3
[M]- 858.44185 280.3
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.