CID 481262

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

Structural Information

Molecular Formula
C23H37N3O6S2
SMILES
CC(C)CN(C[C@H](CC(=O)N1CSCC1C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C23H37N3O6S2/c1-16(2)12-25(34(30,31)19-9-7-18(32-6)8-10-19)13-17(27)11-21(28)26-15-33-14-20(26)22(29)24-23(3,4)5/h7-10,16-17,20,27H,11-15H2,1-6H3,(H,24,29)/t17-,20?/m0/s1
InChIKey
UKQCGUBKVARGMD-DIMJTDRSSA-N
Compound name
N-tert-butyl-3-[(3S)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butanoyl]-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

515.2124 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.21968 220.2
[M+Na]+ 538.20162 219.1
[M-H]- 514.20512 223.0
[M+NH4]+ 533.24622 226.0
[M+K]+ 554.17556 217.3
[M+H-H2O]+ 498.20966 212.9
[M+HCOO]- 560.21060 223.3
[M+CH3COO]- 574.22625 243.9
[M+Na-2H]- 536.18707 216.5
[M]+ 515.21185 224.8
[M]- 515.21295 224.8
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.