CID 11850211

(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)-2,6-diaminohexanoyl]pyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C38H69N7O10SSi2
SMILES
CC1=CN(C(=O)N(C1=O)CCCNC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)N)[C@H]3[C@@H]([C@]4([C@H](O3)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O4)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C38H69N7O10SSi2/c1-25-22-45(35(49)44(32(25)47)21-15-19-42-31(46)27-17-14-20-43(27)33(48)26(40)16-12-13-18-39)34-30(54-58(10,11)37(5,6)7)38(28(41)24-56(50,51)55-38)29(53-34)23-52-57(8,9)36(2,3)4/h22,24,26-27,29-30,34H,12-21,23,39-41H2,1-11H3,(H,42,46)/t26-,27-,29+,30-,34+,38+/m0/s1
InChIKey
IQESYRVCTDMMMP-OIEHSANQSA-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)-2,6-diaminohexanoyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

871.4365 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 872.44378 258.0
[M+Na]+ 894.42572 265.3
[M-H]- 870.42922 258.7
[M+NH4]+ 889.47032 261.4
[M+K]+ 910.39966 260.4
[M+H-H2O]+ 854.43376 243.6
[M+HCOO]- 916.43470 262.4
[M+CH3COO]- 930.45035 310.4
[M+Na-2H]- 892.41117 273.4
[M]+ 871.43595 278.2
[M]- 871.43705 278.2
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.