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Details

Stereochemistry ACHIRAL
Molecular Formula C13H18N2O6S
Molecular Weight 330.357
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CARBOBENZOXY-.BETA.-ALANYLTAURINE

SMILES

OS(=O)(=O)CCNC(=O)CCNC(=O)OCC1=CC=CC=C1

InChI

InChIKey=JPDXFSFKFIWBER-UHFFFAOYSA-N
InChI=1S/C13H18N2O6S/c16-12(14-8-9-22(18,19)20)6-7-15-13(17)21-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,16)(H,15,17)(H,18,19,20)

HIDE SMILES / InChI

Molecular Formula C13H18N2O6S
Molecular Weight 330.357
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:32:59 GMT 2023
Edited
by admin
on Sat Dec 16 05:32:59 GMT 2023
Record UNII
HJ4PVW89DE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CARBOBENZOXY-.BETA.-ALANYLTAURINE
Common Name English
COBAT
Common Name English
ETHANESULFONIC ACID, 2-((1-OXO-3-(((PHENYLMETHOXY)CARBONYL)AMINO)PROPYL)AMINO)-
Common Name English
Code System Code Type Description
FDA UNII
HJ4PVW89DE
Created by admin on Sat Dec 16 05:32:59 GMT 2023 , Edited by admin on Sat Dec 16 05:32:59 GMT 2023
PRIMARY
PUBCHEM
9927496
Created by admin on Sat Dec 16 05:32:59 GMT 2023 , Edited by admin on Sat Dec 16 05:32:59 GMT 2023
PRIMARY
CAS
53329-43-4
Created by admin on Sat Dec 16 05:32:59 GMT 2023 , Edited by admin on Sat Dec 16 05:32:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID40201478
Created by admin on Sat Dec 16 05:32:59 GMT 2023 , Edited by admin on Sat Dec 16 05:32:59 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT