CID 481172

(4r)-n-tert-butyl-3-[2-hydroxy-3-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]propanoyl]thiazolidine-4-carboxamide

Structural Information

Molecular Formula
C22H35N3O6S2
SMILES
CC(C)CN(CC(C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C22H35N3O6S2/c1-15(2)11-24(33(29,30)17-9-7-16(31-6)8-10-17)12-19(26)21(28)25-14-32-13-18(25)20(27)23-22(3,4)5/h7-10,15,18-19,26H,11-14H2,1-6H3,(H,23,27)/t18-,19?/m0/s1
InChIKey
CVQSQVDETPKLBK-OYKVQYDMSA-N
Compound name
(4R)-N-tert-butyl-3-[2-hydroxy-3-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]propanoyl]-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.19672 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.20400 216.2
[M+Na]+ 524.18594 215.6
[M-H]- 500.18944 219.3
[M+NH4]+ 519.23054 222.6
[M+K]+ 540.15988 214.0
[M+H-H2O]+ 484.19398 209.1
[M+HCOO]- 546.19492 219.7
[M+CH3COO]- 560.21057 241.1
[M+Na-2H]- 522.17139 212.9
[M]+ 501.19617 220.6
[M]- 501.19727 220.6
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.