CID 481326

[3-((2s,4s)-4-hydroxy-5-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-2-benzylpentyl)(1,3-thiazolidin-4-yl)]-n-(tert-butyl)carboxamide

Structural Information

Molecular Formula
C31H47N3O5S2
SMILES
CC(C)CN(C[C@H](C[C@H](CC1=CC=CC=C1)CN2CSCC2C(=O)NC(C)(C)C)O)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C31H47N3O5S2/c1-23(2)18-34(41(37,38)28-14-12-27(39-6)13-15-28)20-26(35)17-25(16-24-10-8-7-9-11-24)19-33-22-40-21-29(33)30(36)32-31(3,4)5/h7-15,23,25-26,29,35H,16-22H2,1-6H3,(H,32,36)/t25-,26-,29?/m0/s1
InChIKey
AKPFPEZOPUANFF-QEGCZXFXSA-N
Compound name
3-[(2S,4S)-2-benzyl-4-hydroxy-5-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]pentyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

605.2957 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 606.30298 243.0
[M+Na]+ 628.28492 239.7
[M-H]- 604.28842 247.9
[M+NH4]+ 623.32952 244.8
[M+K]+ 644.25886 236.5
[M+H-H2O]+ 588.29296 234.3
[M+HCOO]- 650.29390 244.9
[M+CH3COO]- 664.30955 261.5
[M+Na-2H]- 626.27037 238.5
[M]+ 605.29515 247.3
[M]- 605.29625 247.3
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.