CID 481370

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

Structural Information

Molecular Formula
C22H35N3O5S2
SMILES
CC(C)CN(CC(CC(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C)O)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C22H35N3O5S2/c1-16(2)12-24(32(29,30)18-9-7-6-8-10-18)13-17(26)11-20(27)25-15-31-14-19(25)21(28)23-22(3,4)5/h6-10,16-17,19,26H,11-15H2,1-5H3,(H,23,28)/t17?,19-/m1/s1
InChIKey
NQBVZGSAUXTQEF-WHCXFUJUSA-N
Compound name
(4S)-3-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxybutanoyl]-N-tert-butyl-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.2018 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.20908 214.2
[M+Na]+ 508.19102 213.3
[M-H]- 484.19452 217.0
[M+NH4]+ 503.23562 221.2
[M+K]+ 524.16496 210.9
[M+H-H2O]+ 468.19906 206.9
[M+HCOO]- 530.20000 217.5
[M+CH3COO]- 544.21565 237.7
[M+Na-2H]- 506.17647 210.7
[M]+ 485.20125 216.8
[M]- 485.20235 216.8
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.