(2S)-N-(1-CYANOCYCLOPROPYL)-4-FLUORO-5-HYDROXY-4-METHYL-2-(((1S)-2,2,2-TRIFLUORO-1-(4'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)ETHYL)AMINO)PENTANAMIDE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C25H27F4N3O4S
Molecular Weight	541.558
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S)-N-(1-CYANOCYCLOPROPYL)-4-FLUORO-5-HYDROXY-4-METHYL-2-(((1S)-2,2,2-TRIFLUORO-1-(4'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)ETHYL)AMINO)PENTANAMIDE

Structure Search

SMILES

CC(F)(CO)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)C#N

InChI

InChIKey=JCZDLZKSPMKOPS-MMBKUXRPSA-N

InChI=1S/C25H27F4N3O4S/c1-23(26,15-33)13-20(22(34)32-24(14-30)11-12-24)31-21(25(27,28)29)18-5-3-16(4-6-18)17-7-9-19(10-8-17)37(2,35)36/h3-10,20-21,31,33H,11-13,15H2,1-2H3,(H,32,34)/t20-,21-,23?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H27F4N3O4S
Molecular Weight	541.558
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 `Wed Apr 02 13:40:01 GMT 2025` Edited by `admin` on `Wed Apr 02 13:40:01 GMT 2025`
Record UNII	26LLW37JEH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S)-N-(1-CYANOCYCLOPROPYL)-4-FLUORO-5-HYDROXY-4-METHYL-2-(((1S)-2,2,2-TRIFLUORO-1-(4'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)ETHYL)AMINO)PENTANAMIDE

Systematic Name

English

ODANACATIB METABOLITE M8

Preferred Name

English

PENTANAMIDE, N-(1-CYANOCYCLOPROPYL)-4-FLUORO-5-HYDROXY-4-METHYL-2-(((1S)-2,2,2-TRIFLUORO-1-(4'-(METHYLSULFONYL)(1,1'-BIPHENYL)-4-YL)ETHYL)AMINO)-, (2S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

26LLW37JEH

Created by admin on Wed Apr 02 13:40:01 GMT 2025 , Edited by admin on Wed Apr 02 13:40:01 GMT 2025

PRIMARY

PUBCHEM

156596462

Created by admin on Wed Apr 02 13:40:01 GMT 2025 , Edited by admin on Wed Apr 02 13:40:01 GMT 2025

PRIMARY

CAS

1356006-28-4

Created by admin on Wed Apr 02 13:40:01 GMT 2025 , Edited by admin on Wed Apr 02 13:40:01 GMT 2025

PRIMARY

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