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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19NO4S
Molecular Weight 333.402
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(Methylsulfonyl)-L-phenylalanine phenylmethyl ester

SMILES

CS(=O)(=O)C1=CC=C(C[C@H](N)C(=O)OCC2=CC=CC=C2)C=C1

InChI

InChIKey=UKIWRNOAQYPTME-INIZCTEOSA-N
InChI=1S/C17H19NO4S/c1-23(20,21)15-9-7-13(8-10-15)11-16(18)17(19)22-12-14-5-3-2-4-6-14/h2-10,16H,11-12,18H2,1H3/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H19NO4S
Molecular Weight 333.402
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 20:47:55 GMT 2025
Edited
by admin
on Wed Apr 02 20:47:55 GMT 2025
Record UNII
ERN3BSK4M8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzyl (S)-2-amino-3-(4-(methylsulfonyl)phenyl)propanoate
Preferred Name English
4-(Methylsulfonyl)-L-phenylalanine phenylmethyl ester
Systematic Name English
L-Phenylalanine, 4-(methylsulfonyl)-, phenylmethyl ester
Systematic Name English
Code System Code Type Description
FDA UNII
ERN3BSK4M8
Created by admin on Wed Apr 02 20:47:55 GMT 2025 , Edited by admin on Wed Apr 02 20:47:55 GMT 2025
PRIMARY
PUBCHEM
155905814
Created by admin on Wed Apr 02 20:47:55 GMT 2025 , Edited by admin on Wed Apr 02 20:47:55 GMT 2025
PRIMARY
CAS
1865726-28-8
Created by admin on Wed Apr 02 20:47:55 GMT 2025 , Edited by admin on Wed Apr 02 20:47:55 GMT 2025
PRIMARY