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Details

Stereochemistry EPIMERIC
Molecular Formula C30H34F4N4O6S2
Molecular Weight 686.738
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-FLUORO-N-((1S)-2,2,2-TRIFLUORO-1-(4'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)ETHYL)-L-LEUCYL-2-(1-AMINOCYCLOPROPYL)-4,5-DIHYDRO-4-THIAZOLECARBONYLGLYCINE

SMILES

CC(C)(F)C[C@H](N[C@@H](C1=CC=C(C=C1)C2=CC=C(C=C2)S(C)(=O)=O)C(F)(F)F)C(=O)NC3(CC3)C4=NC(CS4)C(=O)NCC(O)=O

InChI

InChIKey=UEBZMZSLTYWZTH-WKJLPXBYSA-N
InChI=1S/C30H34F4N4O6S2/c1-28(2,31)14-21(26(42)38-29(12-13-29)27-37-22(16-45-27)25(41)35-15-23(39)40)36-24(30(32,33)34)19-6-4-17(5-7-19)18-8-10-20(11-9-18)46(3,43)44/h4-11,21-22,24,36H,12-16H2,1-3H3,(H,35,41)(H,38,42)(H,39,40)/t21-,22?,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C30H34F4N4O6S2
Molecular Weight 686.738
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 22:04:23 UTC 2023
Edited
by admin
on Thu Jul 06 22:04:23 UTC 2023
Record UNII
RS3324X9KL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-FLUORO-N-((1S)-2,2,2-TRIFLUORO-1-(4'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)ETHYL)-L-LEUCYL-2-(1-AMINOCYCLOPROPYL)-4,5-DIHYDRO-4-THIAZOLECARBONYLGLYCINE
Systematic Name English
GLYCINE, 4-FLUORO-N-((1S)-2,2,2-TRIFLUORO-1-(4'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)ETHYL)-L-LEUCYL-2-(1-AMINOCYCLOPROPYL)-4,5-DIHYDRO-4-THIAZOLECARBONYL-
Systematic Name English
ODANACATIB METABOLITE M6
Common Name English
Code System Code Type Description
CAS
1356006-26-2
Created by admin on Thu Jul 06 22:04:23 UTC 2023 , Edited by admin on Thu Jul 06 22:04:23 UTC 2023
PRIMARY
FDA UNII
RS3324X9KL
Created by admin on Thu Jul 06 22:04:23 UTC 2023 , Edited by admin on Thu Jul 06 22:04:23 UTC 2023
PRIMARY
PUBCHEM
156028106
Created by admin on Thu Jul 06 22:04:23 UTC 2023 , Edited by admin on Thu Jul 06 22:04:23 UTC 2023
PRIMARY
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