CID 16072579

(4r)-3-[(2s,3s)-3-[(4-fluoro-3-hydroxy-2-methyl-benzoyl)amino]-2-hydroxy-4-phenyl-butanoyl]-5,5-dimethyl-n-(o-tolylmethyl)thiazolidine-4-carboxamide

Structural Information

Molecular Formula
C32H36FN3O5S
SMILES
CC1=CC=CC=C1CNC(=O)[C@@H]2C(SCN2C(=O)[C@H]([C@H](CC3=CC=CC=C3)NC(=O)C4=C(C(=C(C=C4)F)O)C)O)(C)C
InChI
InChI=1S/C32H36FN3O5S/c1-19-10-8-9-13-22(19)17-34-30(40)28-32(3,4)42-18-36(28)31(41)27(38)25(16-21-11-6-5-7-12-21)35-29(39)23-14-15-24(33)26(37)20(23)2/h5-15,25,27-28,37-38H,16-18H2,1-4H3,(H,34,40)(H,35,39)/t25-,27-,28+/m0/s1
InChIKey
TUQBPWBPFBGUOX-RZDMPUFOSA-N
Compound name
(4R)-3-[(2S,3S)-3-[(4-fluoro-3-hydroxy-2-methylbenzoyl)amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

593.23596 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.24324 239.5
[M+Na]+ 616.22518 240.1
[M-H]- 592.22868 246.0
[M+NH4]+ 611.26978 242.4
[M+K]+ 632.19912 235.7
[M+H-H2O]+ 576.23322 229.8
[M+HCOO]- 638.23416 246.4
[M+CH3COO]- 652.24981 259.7
[M+Na-2H]- 614.21063 231.2
[M]+ 593.23541 239.4
[M]- 593.23651 239.4
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.