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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21Cl2N3O7S
Molecular Weight 530.378
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (.ALPHA.R,2R,4S)-3-ACETYL-4-CARBOXY-.ALPHA.-(((3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL)CARBONYL)AMINO)-5,5-DIMETHYL-2-THIAZOLIDINEACETIC ACID

SMILES

[H][C@@]1(SC(C)(C)[C@@H](N1C(C)=O)C(O)=O)[C@H](NC(=O)C2=C(C)ON=C2C3=C(Cl)C=CC=C3Cl)C(O)=O

InChI

InChIKey=DLKZPLCKGFARLR-XYJFISCASA-N
InChI=1S/C21H21Cl2N3O7S/c1-8-12(14(25-33-8)13-10(22)6-5-7-11(13)23)17(28)24-15(19(29)30)18-26(9(2)27)16(20(31)32)21(3,4)34-18/h5-7,15-16,18H,1-4H3,(H,24,28)(H,29,30)(H,31,32)/t15-,16-,18+/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H21Cl2N3O7S
Molecular Weight 530.378
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:28:00 GMT 2023
Edited
by admin
on Sat Dec 16 11:28:00 GMT 2023
Record UNII
255X6X9Z9T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(.ALPHA.R,2R,4S)-3-ACETYL-4-CARBOXY-.ALPHA.-(((3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL)CARBONYL)AMINO)-5,5-DIMETHYL-2-THIAZOLIDINEACETIC ACID
Systematic Name English
2-THIAZOLIDINEACETIC ACID, 3-ACETYL-4-CARBOXY-.ALPHA.-(((3-(2,6-DICHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL)CARBONYL)AMINO)-5,5-DIMETHYL-, (.ALPHA.R,2R,4S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
131667581
Created by admin on Sat Dec 16 11:28:00 GMT 2023 , Edited by admin on Sat Dec 16 11:28:00 GMT 2023
PRIMARY
FDA UNII
255X6X9Z9T
Created by admin on Sat Dec 16 11:28:00 GMT 2023 , Edited by admin on Sat Dec 16 11:28:00 GMT 2023
PRIMARY
CAS
934986-84-2
Created by admin on Sat Dec 16 11:28:00 GMT 2023 , Edited by admin on Sat Dec 16 11:28:00 GMT 2023
PRIMARY
Related Record Type Details
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