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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21NO4S
Molecular Weight 383.461
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(((9H-Fluoren-9-yl)methyl)thio)-2-(((allyloxy)carbonyl)amino)propanoic acid, (S)-

SMILES

OC(=O)[C@@H](CSCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)OCC=C

InChI

InChIKey=MUSZBDPVJSUUQY-LJQANCHMSA-N
InChI=1S/C21H21NO4S/c1-2-11-26-21(25)22-19(20(23)24)13-27-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,22,25)(H,23,24)/t19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H21NO4S
Molecular Weight 383.461
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 19:11:38 GMT 2025
Edited
by admin
on Wed Apr 02 19:11:38 GMT 2025
Record UNII
ST9W74Q5WS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(((9H-Fluoren-9-yl)methyl)thio)-2-(((allyloxy)carbonyl)amino)propanoic acid, (S)-
Common Name English
(S)-3-(((9H-Fluoren-9-yl)methyl)thio)-2-(((allyloxy)carbonyl)amino)propanoic acid
Preferred Name English
D-Cysteine, S-(9H-fluoren-9-ylmethyl)-N-[(2-propen-1-yloxy)carbonyl]-
Systematic Name English
S-(9H-Fluoren-9-ylmethyl)-N-[(2-propen-1-yloxy)carbonyl]-D-cysteine
Systematic Name English
Code System Code Type Description
FDA UNII
ST9W74Q5WS
Created by admin on Wed Apr 02 19:11:38 GMT 2025 , Edited by admin on Wed Apr 02 19:11:38 GMT 2025
PRIMARY
CAS
2568957-47-9
Created by admin on Wed Apr 02 19:11:38 GMT 2025 , Edited by admin on Wed Apr 02 19:11:38 GMT 2025
PRIMARY
PUBCHEM
10959945
Created by admin on Wed Apr 02 19:11:38 GMT 2025 , Edited by admin on Wed Apr 02 19:11:38 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER