rel-(3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-D-proline

CAS Registry Number®

1219086-89-1

CAS Name

rel-(3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-D-proline

Molecular Formula

C23H22Cl2F2N2O2

Molecular Mass

467.34

Cite this Page

rel-(3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-D-proline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1219086-89-1 (retrieved 2024-11-22) (CAS RN: 1219086-89-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C23H22Cl2F2N2O2/c1-22(2,3)10-17-23(11-28,14-8-7-12(24)9-16(14)26)18(20(29-17)21(30)31)13-5-4-6-15(25)19(13)27/h4-9,17-18,20,29H,10H2,1-3H3,(H,30,31)/t17-,18-,20+,23-/s2

InChIKey

InChIKey=IIEWBFYJGJATRB-DPBVQUOLNA-N

SMILES

C(#N)[C@]1([C@H]([C@H](C(O)=O)N[C@H]1CC(C)(C)C)C2=C(F)C(Cl)=CC=C2)C3=C(F)C=C(Cl)C=C3

Canonical SMILES

N#CC1(C2=CC=C(Cl)C=C2F)C(NC(C(=O)O)C1C=3C=CC=C(Cl)C3F)CC(C)(C)C

Other Names for this Substance

  • D-Proline, 3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-, (3S,4R,5S)-rel-
  • rel-(3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-D-proline
  • rel-(2R,3S,4R,5S)-3-(3-Chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration