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

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=CC(C[C@H](N)C(=O)OCC2=CC=CC=C2)=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
139594
Name Type Language
(S)-Benzyl 2-amino-3-(3-(methylsulfonyl)phenyl)propanoate
Systematic Name English
L-Phenylalanine, 3-(methylsulfonyl)-, phenylmethyl ester
Systematic Name English
3-(Methylsulfonyl)-L-phenylalanine phenylmethyl ester
Systematic Name English
Code System Code Type Description
PUBCHEM
44514643
Created by admin on Sat Dec 16 19:12:22 GMT 2023 , Edited by admin on Sat Dec 16 19:12:22 GMT 2023
PRIMARY
FDA UNII
YD8D2C6X6J
Created by admin on Sat Dec 16 19:12:22 GMT 2023 , Edited by admin on Sat Dec 16 19:12:22 GMT 2023
PRIMARY
CAS
1194864-16-8
Created by admin on Sat Dec 16 19:12:22 GMT 2023 , Edited by admin on Sat Dec 16 19:12:22 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
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