(4S)-2-[[[[3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]methyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid

Details

Stereochemistry	EPIMERIC
Molecular Formula	C18H19ClFN3O4S
Molecular Weight	427.878
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (4S)-2-[[[[3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]methyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid

Structure Search

SMILES

CC1=C(C(=O)NCC2N[C@@H](C(O)=O)C(C)(C)S2)C(=NO1)C3=C(F)C=CC=C3Cl

InChI

InChIKey=GBFSDMWQIFGGKS-MHTVFEQDSA-N

InChI=1S/C18H19ClFN3O4S/c1-8-12(14(23-27-8)13-9(19)5-4-6-10(13)20)16(24)21-7-11-22-15(17(25)26)18(2,3)28-11/h4-6,11,15,22H,7H2,1-3H3,(H,21,24)(H,25,26)/t11?,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H19ClFN3O4S
Molecular Weight	427.878
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	1 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:10:43 GMT 2025` Edited by `admin` on `Wed Apr 02 17:10:43 GMT 2025`
Record UNII	CQ6ELY8VFN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4S)-2-[[[[3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]methyl]-5,5-dimethyl-4-thiazolidinecarboxylic acid

Systematic Name

English

4-Thiazolidinecarboxylic acid, 2-[[[[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]methyl]-5,5-dimethyl-, (4S)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

71316777

Created by admin on Wed Apr 02 17:10:43 GMT 2025 , Edited by admin on Wed Apr 02 17:10:43 GMT 2025

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FDA UNII

CQ6ELY8VFN

Created by admin on Wed Apr 02 17:10:43 GMT 2025 , Edited by admin on Wed Apr 02 17:10:43 GMT 2025

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CAS

1276016-89-7

Created by admin on Wed Apr 02 17:10:43 GMT 2025 , Edited by admin on Wed Apr 02 17:10:43 GMT 2025

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