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Details

Stereochemistry RACEMIC
Molecular Formula C11H16N2O6S
Molecular Weight 304.32
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(1-CARBOXY-2-(5,5-DIMETHYL-4,5-DIHYDROISOXAZOL-3-YLTHIO)ETHYLAMINO)-3-OXOPROPANOIC ACID

SMILES

CC1(C)CC(SCC(NC(=O)CC(O)=O)C(O)=O)=NO1

InChI

InChIKey=CIQQKPGMNVUCOV-UHFFFAOYSA-N
InChI=1S/C11H16N2O6S/c1-11(2)4-8(13-19-11)20-5-6(10(17)18)12-7(14)3-9(15)16/h6H,3-5H2,1-2H3,(H,12,14)(H,15,16)(H,17,18)

HIDE SMILES / InChI

Molecular Formula C11H16N2O6S
Molecular Weight 304.32
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:09:31 GMT 2023
Edited
by admin
on Sat Dec 16 08:09:31 GMT 2023
Record UNII
G3DRT02MHL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(1-CARBOXY-2-(5,5-DIMETHYL-4,5-DIHYDROISOXAZOL-3-YLTHIO)ETHYLAMINO)-3-OXOPROPANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
G3DRT02MHL
Created by admin on Sat Dec 16 08:09:31 GMT 2023 , Edited by admin on Sat Dec 16 08:09:31 GMT 2023
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PUBCHEM
86278361
Created by admin on Sat Dec 16 08:09:31 GMT 2023 , Edited by admin on Sat Dec 16 08:09:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID101009440
Created by admin on Sat Dec 16 08:09:31 GMT 2023 , Edited by admin on Sat Dec 16 08:09:31 GMT 2023
PRIMARY
CAS
1544489-04-4
Created by admin on Sat Dec 16 08:09:31 GMT 2023 , Edited by admin on Sat Dec 16 08:09:31 GMT 2023
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