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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86640407Generated: October 30, 2026

rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(3-ethyl-oxetan-3-ylmethyl)-pyrrolidine-2-carboxylic acid ((S)-3,4-dihydroxy-butyl)-amide

https://huagongshe.com/en/chemical/86640407

rac-(2R,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(3-ethyl-oxetan-3-ylmethyl)-pyrrolidine-2-carboxylic acid ((S)-3,4-dihydroxy-butyl)-amide molecular structure

Identifiers & Physical Properties

Molecular formulaC28H31Cl2F2N3O4
Average molar mass582.5 g/mol
Monoisotopic mass581.1659682 g/mol
SMILESCCC1(CC2NC(C(=O)NCC[C@H](O)CO)C(c3cccc(Cl)c3F)C2(C#N)c2ccc(Cl)cc2F)COC1
InChIKeyPPSHEFDPSDIMFK-IPZLSOKVSA-N
PubChem CID86640407

Chemical & Physical Properties

XLogP3.5
Topological polar surface area115
Hydrogen bond donors4
Hydrogen bond acceptors8
Rotatable bonds10
Heavy atoms39
Formal charge0
Complexity905