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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 (S)-Benzyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoate

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-(Methylsulfonyl)-L-phenylalanine phenylmethyl ester
Preferred Name English
(S)-Benzyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoate
Systematic Name English
L-Phenylalanine, 3-(methylsulfonyl)-, phenylmethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
44514643
Created by admin on Wed Apr 02 14:02:07 GMT 2025 , Edited by admin on Wed Apr 02 14:02:07 GMT 2025
PRIMARY
FDA UNII
YD8D2C6X6J
Created by admin on Wed Apr 02 14:02:07 GMT 2025 , Edited by admin on Wed Apr 02 14:02:07 GMT 2025
PRIMARY
CAS
1194864-16-8
Created by admin on Wed Apr 02 14:02:07 GMT 2025 , Edited by admin on Wed Apr 02 14:02:07 GMT 2025
PRIMARY
NIH
NCATS
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