U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19NO4S.ClH
Molecular Weight 369.863
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 hydrochloride

SMILES

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

InChI

InChIKey=QMFDSGLDMSBMLX-NTISSMGPSA-N
InChI=1S/C17H19NO4S.ClH/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;1H/t16-;/m0./s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
L-Phenylalanine, 3-(methylsulfonyl)-, phenylmethyl ester, hydrochloride (1:1)
Preferred Name English
(S)-Benzyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoate hydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
44514642
Created by admin on Wed Apr 02 15:23:36 GMT 2025 , Edited by admin on Wed Apr 02 15:23:36 GMT 2025
PRIMARY
FDA UNII
2CJM9X7KEU
Created by admin on Wed Apr 02 15:23:36 GMT 2025 , Edited by admin on Wed Apr 02 15:23:36 GMT 2025
PRIMARY
CAS
1194550-59-8
Created by admin on Wed Apr 02 15:23:36 GMT 2025 , Edited by admin on Wed Apr 02 15:23:36 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966