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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H39F2N3O7S
Molecular Weight 695.773
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZD-4121

SMILES

O[C@@H](CS[C@@H]1[C@H](N(C1=O)C2=CC=C(F)C=C2)C3=CC=C(OCC(=O)NCC(=O)N[C@H](CC4CCCCC4)C(O)=O)C=C3)C5=CC=C(F)C=C5

InChI

InChIKey=FNTLQLXIDNNELB-GBWWDHKLSA-N
InChI=1S/C36H39F2N3O7S/c37-25-10-6-23(7-11-25)30(42)21-49-34-33(41(35(34)45)27-14-12-26(38)13-15-27)24-8-16-28(17-9-24)48-20-32(44)39-19-31(43)40-29(36(46)47)18-22-4-2-1-3-5-22/h6-17,22,29-30,33-34,42H,1-5,18-21H2,(H,39,44)(H,40,43)(H,46,47)/t29-,30+,33-,34-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
AZD-4121
Code English
(2R)-3-CYCLOHEXYL-2-((2-((2-(4-((2R,3R)-1-(4-FLUOROPHENYL)-3-((2R)-2-(4-FLUOROPHENYL)-2-HYDROXY-ETHYL)SULFANYL-4-OXO-AZETIDIN-2-YL)PHENOXY)ACETYL)AMINO)ACETYL)AMINO)PROPANOIC ACID
Preferred Name English
AR-H086959 FREE ACID
Code English
AZD 4121 [WHO-DD]
Common Name English
D-ALANINE, N-(2-(4-((2R,3R)-1-(4-FLUOROPHENYL)-3-(((2R)-2-(4-FLUOROPHENYL)-2-HYDROXYETHYL)THIO)-4-OXO-2-AZETIDINYL)PHENOXY)ACETYL)GLYCYL-3-CYCLOHEXYL-
Systematic Name English
Code System Code Type Description
FDA UNII
24C6GP26IJ
Created by admin on Tue Apr 01 16:31:03 GMT 2025 , Edited by admin on Tue Apr 01 16:31:03 GMT 2025
PRIMARY
CAS
1369489-34-8
Created by admin on Tue Apr 01 16:31:03 GMT 2025 , Edited by admin on Tue Apr 01 16:31:03 GMT 2025
PRIMARY
PUBCHEM
67273740
Created by admin on Tue Apr 01 16:31:03 GMT 2025 , Edited by admin on Tue Apr 01 16:31:03 GMT 2025
PRIMARY
CAS
951784-81-9
Created by admin on Tue Apr 01 16:31:03 GMT 2025 , Edited by admin on Tue Apr 01 16:31:03 GMT 2025
NO STRUCTURE GIVEN