CID 165997140

(2r)-2-[(2r)-2-[(tert-butyldimethylsilyl)oxy]propanamido]-3-{[(2r)-2-[(2r)-2-[(tert-butyldimethylsilyl)oxy]propanamido]-2-carboxyethyl]disulfanyl}propanoic acid

Structural Information

Molecular Formula
C24H48N2O8S2Si2
SMILES
C[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC(=O)[C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C24H48N2O8S2Si2/c1-15(33-37(9,10)23(3,4)5)19(27)25-17(21(29)30)13-35-36-14-18(22(31)32)26-20(28)16(2)34-38(11,12)24(6,7)8/h15-18H,13-14H2,1-12H3,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t15-,16-,17+,18+/m1/s1
InChIKey
PUCGWDZOKHMFDR-BDXSIMOUSA-N
Compound name
(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-3-[[(2R)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-2-carboxyethyl]disulfanyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

612.2391 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.24638 228.8
[M+Na]+ 635.22832 232.3
[M-H]- 611.23182 235.3
[M+NH4]+ 630.27292 240.7
[M+K]+ 651.20226 238.0
[M+H-H2O]+ 595.23636 222.6
[M+HCOO]- 657.23730 219.8
[M+CH3COO]- 671.25295 256.2
[M+Na-2H]- 633.21377 218.0
[M]+ 612.23855 232.3
[M]- 612.23965 232.3
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.