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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H26F3N5O6
Molecular Weight 609.5525
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,4S)-4-[5-Ethynyl-3-[(9S)-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonan-8-yl]pyridin-2-yl]oxy-1-[2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid

SMILES

C[C@@H]1N(CCOC12COC2)C3=CC(=CN=C3O[C@H]4C[C@H](N(C4)C5=C6OC7=C(C=CC=C7)C6=NC(=N5)C(F)(F)F)C(O)=O)C#C

InChI

InChIKey=HOJHRGAVECZQBM-MDKPJZGXSA-N
InChI=1S/C30H26F3N5O6/c1-3-17-10-20(37-8-9-42-29(16(37)2)14-41-15-29)26(34-12-17)43-18-11-21(27(39)40)38(13-18)25-24-23(35-28(36-25)30(31,32)33)19-6-4-5-7-22(19)44-24/h1,4-7,10,12,16,18,21H,8-9,11,13-15H2,2H3,(H,39,40)/t16-,18-,21-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2S,4S)-4-[5-Ethynyl-3-[(9S)-9-methyl-2,5-dioxa-8-azaspiro[3.5]nonan-8-yl]pyridin-2-yl]oxy-1-[2-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
Preferred Name English
Code System Code Type Description
FDA UNII
6KSS4P8BYK
Created by admin on Wed Apr 02 20:50:28 GMT 2025 , Edited by admin on Wed Apr 02 20:50:28 GMT 2025
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PUBCHEM
166564424
Created by admin on Wed Apr 02 20:50:28 GMT 2025 , Edited by admin on Wed Apr 02 20:50:28 GMT 2025
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CAS
2866464-02-8
Created by admin on Wed Apr 02 20:50:28 GMT 2025 , Edited by admin on Wed Apr 02 20:50:28 GMT 2025
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