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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H12N2O5S
Molecular Weight 284.288
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Oxo-3-(2-phenylacetamido)azetidine-1-sulfonic acid, (3S)-

SMILES

OS(=O)(=O)N1C[C@H](NC(=O)CC2=CC=CC=C2)C1=O

InChI

InChIKey=LXNONFKMWIQEJK-VIFPVBQESA-N
InChI=1S/C11H12N2O5S/c14-10(6-8-4-2-1-3-5-8)12-9-7-13(11(9)15)19(16,17)18/h1-5,9H,6-7H2,(H,12,14)(H,16,17,18)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H12N2O5S
Molecular Weight 284.288
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:39:52 GMT 2025
Edited
by admin
on Wed Apr 02 17:39:52 GMT 2025
Record UNII
TKC3N7XF97
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Oxo-3-(2-phenylacetamido)azetidine-1-sulfonic acid, (3S)-
Systematic Name English
(3S)-2-oxo-3-(2-phenylacetamido)azetidine-1-sulfonic acid
Preferred Name English
1-Azetidinesulfonic acid, 2-oxo-3-[(phenylacetyl)amino]-, (S)-
Systematic Name English
1-Azetidinesulfonic acid, 2-oxo-3-[(phenylacetyl)amino]-, (3S)-
Systematic Name English
Code System Code Type Description
FDA UNII
TKC3N7XF97
Created by admin on Wed Apr 02 17:39:52 GMT 2025 , Edited by admin on Wed Apr 02 17:39:52 GMT 2025
PRIMARY
CAS
80904-76-3
Created by admin on Wed Apr 02 17:39:52 GMT 2025 , Edited by admin on Wed Apr 02 17:39:52 GMT 2025
PRIMARY
PUBCHEM
133501
Created by admin on Wed Apr 02 17:39:52 GMT 2025 , Edited by admin on Wed Apr 02 17:39:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID90276338
Created by admin on Wed Apr 02 17:39:52 GMT 2025 , Edited by admin on Wed Apr 02 17:39:52 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT